REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3kbu_1_A DATA FIRST_RESID 1584 DATA SEQUENCE NEAQQYYLDA DEAEAWIGEQ ELYVISDEIP KDEEGAIVML KRHLRQQRAV DATA SEQUENCE EDYGRNIKQL ASRAQGLLSA GHPEGEQIIR LQGQVDKHYA GLKDVACERK DATA SEQUENCE RKLENMYHLF QLKRETDDLE QWISEKELVA SSPEMGQDFD HVTLLRDKFR DATA SEQUENCE DFARETGAIG QERVDNVNAF IERLIDAGHS EAATIAEWKD GLNEMWADLL DATA SEQUENCE ELIDTRMQLL AASYDLHRYF YTGAEILGLI DEKHREXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXFER DVHLLGVQVQ QFQDVATRLQ TAYAGEKAEA IQNKEQEVSA DATA SEQUENCE AWQALL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1584 N HA 0.000 nan 4.740 nan 0.000 0.220 1584 N C 0.000 175.532 175.510 0.037 0.000 1.280 1584 N CA 0.000 53.092 53.050 0.069 0.000 0.885 1584 N CB 0.000 38.522 38.487 0.059 0.000 1.341 1585 E N 1.493 121.707 120.200 0.023 0.000 2.106 1585 E HA 0.177 4.536 4.350 0.015 0.000 0.192 1585 E C 1.952 178.504 176.600 -0.079 0.000 0.984 1585 E CA 1.799 58.186 56.400 -0.022 0.000 0.806 1585 E CB -0.186 29.495 29.700 -0.031 0.000 0.750 1585 E HN 0.528 nan 8.360 nan 0.000 0.458 1586 A N 0.842 123.592 122.820 -0.117 0.000 1.851 1586 A HA -0.325 4.004 4.320 0.015 0.000 0.216 1586 A C 2.075 179.536 177.584 -0.204 0.000 1.195 1586 A CA 1.954 53.827 52.037 -0.275 0.000 0.622 1586 A CB -0.752 18.149 19.000 -0.164 0.000 0.831 1586 A HN 0.226 nan 8.150 nan 0.000 0.444 1587 Q N -1.220 118.634 119.800 0.090 0.000 2.112 1587 Q HA -0.298 4.051 4.340 0.015 0.000 0.206 1587 Q C 2.300 178.366 176.000 0.110 0.000 0.987 1587 Q CA 1.981 57.916 55.803 0.221 0.000 0.858 1587 Q CB -0.262 28.567 28.738 0.151 0.000 0.905 1587 Q HN 0.721 nan 8.270 nan 0.000 0.420 1588 Q N -0.107 119.705 119.800 0.020 0.000 2.084 1588 Q HA -0.205 4.144 4.340 0.015 0.000 0.202 1588 Q C 1.715 177.672 176.000 -0.072 0.000 0.978 1588 Q CA 1.594 57.390 55.803 -0.012 0.000 0.844 1588 Q CB -0.485 28.245 28.738 -0.014 0.000 0.898 1588 Q HN 0.567 nan 8.270 nan 0.000 0.426 1589 Y N -0.404 119.761 120.300 -0.226 0.000 2.151 1589 Y HA -0.327 4.232 4.550 0.015 0.000 0.284 1589 Y C 1.500 177.266 175.900 -0.225 0.000 1.166 1589 Y CA 2.070 59.996 58.100 -0.290 0.000 1.163 1589 Y CB -0.424 37.773 38.460 -0.439 0.000 0.974 1589 Y HN 0.213 nan 8.280 nan 0.000 0.511 1590 Y N -0.324 119.945 120.300 -0.051 0.000 2.145 1590 Y HA -0.228 4.331 4.550 0.015 0.000 0.286 1590 Y C 2.423 178.252 175.900 -0.119 0.000 1.145 1590 Y CA 1.532 59.584 58.100 -0.079 0.000 1.148 1590 Y CB -1.149 37.328 38.460 0.030 0.000 0.981 1590 Y HN 0.115 nan 8.280 nan 0.000 0.507 1591 L N -0.245 121.021 121.223 0.071 0.000 2.012 1591 L HA -0.257 4.092 4.340 0.015 0.000 0.210 1591 L C 2.006 178.852 176.870 -0.040 0.000 1.073 1591 L CA 1.634 56.489 54.840 0.025 0.000 0.748 1591 L CB -0.547 41.528 42.059 0.026 0.000 0.891 1591 L HN 0.139 nan 8.230 nan 0.000 0.431 1592 D N -0.158 120.167 120.400 -0.125 0.000 2.117 1592 D HA -0.152 4.497 4.640 0.015 0.000 0.197 1592 D C 2.227 178.409 176.300 -0.196 0.000 0.987 1592 D CA 1.433 55.334 54.000 -0.165 0.000 0.829 1592 D CB -0.164 40.509 40.800 -0.212 0.000 0.961 1592 D HN 0.333 nan 8.370 nan 0.000 0.460 1593 A N 1.092 123.710 122.820 -0.336 0.000 1.877 1593 A HA -0.193 4.136 4.320 0.015 0.000 0.216 1593 A C 1.811 179.375 177.584 -0.034 0.000 1.186 1593 A CA 1.729 53.623 52.037 -0.240 0.000 0.620 1593 A CB -0.495 18.303 19.000 -0.336 0.000 0.822 1593 A HN 0.027 nan 8.150 nan 0.000 0.443 1594 D N -0.612 119.788 120.400 0.001 0.000 2.149 1594 D HA -0.171 4.478 4.640 0.015 0.000 0.198 1594 D C 1.861 178.204 176.300 0.072 0.000 0.990 1594 D CA 1.472 55.503 54.000 0.052 0.000 0.839 1594 D CB -0.330 40.501 40.800 0.052 0.000 0.948 1594 D HN 0.739 nan 8.370 nan 0.000 0.460 1595 E N 0.367 120.602 120.200 0.057 0.000 2.031 1595 E HA -0.175 4.184 4.350 0.015 0.000 0.193 1595 E C 2.007 178.719 176.600 0.187 0.000 0.994 1595 E CA 1.111 57.573 56.400 0.102 0.000 0.800 1595 E CB 0.012 29.753 29.700 0.068 0.000 0.752 1595 E HN 0.170 nan 8.360 nan 0.000 0.447 1596 A N 1.441 124.369 122.820 0.180 0.000 1.858 1596 A HA -0.214 4.115 4.320 0.015 0.000 0.216 1596 A C 2.038 179.792 177.584 0.283 0.000 1.190 1596 A CA 1.584 53.800 52.037 0.299 0.000 0.617 1596 A CB -0.581 18.548 19.000 0.215 0.000 0.827 1596 A HN 0.265 nan 8.150 nan 0.000 0.443 1597 E N -0.096 120.225 120.200 0.203 0.000 2.070 1597 E HA -0.233 4.126 4.350 0.015 0.000 0.197 1597 E C 2.348 179.041 176.600 0.155 0.000 1.004 1597 E CA 1.416 57.935 56.400 0.198 0.000 0.805 1597 E CB -0.584 29.222 29.700 0.177 0.000 0.744 1597 E HN 0.588 nan 8.360 nan 0.000 0.451 1598 A N 0.373 123.279 122.820 0.143 0.000 1.972 1598 A HA -0.180 4.149 4.320 0.015 0.000 0.219 1598 A C 1.974 179.619 177.584 0.101 0.000 1.169 1598 A CA 1.391 53.492 52.037 0.106 0.000 0.635 1598 A CB -0.954 18.106 19.000 0.101 0.000 0.810 1598 A HN 0.445 nan 8.150 nan 0.000 0.446 1599 W N 0.569 121.851 121.300 -0.029 0.000 2.378 1599 W HA -0.119 4.551 4.660 0.016 0.000 0.313 1599 W C 1.802 178.223 176.519 -0.163 0.000 1.197 1599 W CA 1.891 59.155 57.345 -0.135 0.000 1.304 1599 W CB -0.230 29.056 29.460 -0.290 0.000 1.148 1599 W HN 0.284 nan 8.180 nan 0.000 0.494 1600 I N 0.775 121.427 120.570 0.137 0.000 2.208 1600 I HA -0.263 3.916 4.170 0.015 0.000 0.245 1600 I C 2.656 178.688 176.117 -0.142 0.000 1.097 1600 I CA 1.620 62.931 61.300 0.019 0.000 1.363 1600 I CB -1.387 36.755 38.000 0.236 0.000 1.051 1600 I HN 0.200 nan 8.210 nan 0.000 0.413 1601 G N 0.713 109.464 108.800 -0.082 0.000 2.476 1601 G HA2 -0.361 3.608 3.960 0.015 0.000 0.218 1601 G HA3 -0.361 3.608 3.960 0.015 0.000 0.218 1601 G C 1.513 176.316 174.900 -0.162 0.000 1.164 1601 G CA 1.331 46.364 45.100 -0.112 0.000 0.768 1601 G HN 0.438 nan 8.290 nan 0.000 0.560 1602 E N 0.119 120.225 120.200 -0.157 0.000 2.077 1602 E HA -0.133 4.226 4.350 0.015 0.000 0.193 1602 E C 2.513 178.962 176.600 -0.252 0.000 0.989 1602 E CA 1.325 57.659 56.400 -0.110 0.000 0.800 1602 E CB -0.261 29.358 29.700 -0.136 0.000 0.746 1602 E HN 0.395 nan 8.360 nan 0.000 0.452 1603 Q N 0.337 119.842 119.800 -0.491 0.000 2.050 1603 Q HA -0.191 4.158 4.340 0.015 0.000 0.202 1603 Q C 2.179 178.008 176.000 -0.285 0.000 0.980 1603 Q CA 1.803 57.319 55.803 -0.478 0.000 0.840 1603 Q CB -0.327 27.997 28.738 -0.689 0.000 0.898 1603 Q HN 0.559 nan 8.270 nan 0.000 0.424 1604 E N 0.254 120.296 120.200 -0.262 0.000 2.047 1604 E HA -0.126 4.233 4.350 0.015 0.000 0.191 1604 E C 1.985 178.441 176.600 -0.241 0.000 0.987 1604 E CA 0.742 57.019 56.400 -0.205 0.000 0.799 1604 E CB 0.107 29.702 29.700 -0.174 0.000 0.752 1604 E HN 0.252 nan 8.360 nan 0.000 0.449 1605 L N -0.947 120.059 121.223 -0.362 0.000 2.354 1605 L HA 0.017 4.366 4.340 0.015 0.000 0.212 1605 L C 1.482 177.956 176.870 -0.659 0.000 1.091 1605 L CA 0.381 54.868 54.840 -0.588 0.000 0.828 1605 L CB 0.041 41.523 42.059 -0.963 0.000 0.973 1605 L HN 0.201 nan 8.230 nan 0.000 0.461 1606 Y N -2.203 118.031 120.300 -0.110 0.000 2.638 1606 Y HA 0.140 4.699 4.550 0.015 0.000 0.275 1606 Y C 2.175 178.017 175.900 -0.097 0.000 1.122 1606 Y CA -0.119 57.924 58.100 -0.095 0.000 1.266 1606 Y CB -0.331 38.073 38.460 -0.093 0.000 1.317 1606 Y HN -0.284 nan 8.280 nan 0.000 0.501 1607 V N 0.816 120.727 119.914 -0.004 0.000 2.283 1607 V HA -0.165 3.964 4.120 0.015 0.000 0.243 1607 V C 1.023 177.098 176.094 -0.032 0.000 1.039 1607 V CA 1.021 63.294 62.300 -0.044 0.000 1.016 1607 V CB -0.367 31.380 31.823 -0.127 0.000 0.650 1607 V HN 0.121 nan 8.190 nan 0.000 0.449 1608 I N 0.147 120.686 120.570 -0.053 0.000 2.638 1608 I HA 0.166 4.345 4.170 0.015 0.000 0.286 1608 I C 0.448 176.561 176.117 -0.007 0.000 1.088 1608 I CA 0.767 62.066 61.300 -0.002 0.000 1.397 1608 I CB 1.175 39.178 38.000 0.005 0.000 1.414 1608 I HN 0.159 nan 8.210 nan 0.000 0.566 1609 S N 2.652 118.363 115.700 0.018 0.000 2.600 1609 S HA 0.343 4.822 4.470 0.015 0.000 0.300 1609 S C -0.047 174.542 174.600 -0.019 0.000 1.087 1609 S CA -0.699 57.501 58.200 0.001 0.000 0.965 1609 S CB 1.303 64.512 63.200 0.015 0.000 1.089 1609 S HN 0.581 nan 8.310 nan 0.000 0.496 1610 D N 1.546 121.933 120.400 -0.022 0.000 2.369 1610 D HA 0.192 4.841 4.640 0.015 0.000 0.211 1610 D C 0.065 176.354 176.300 -0.019 0.000 1.077 1610 D CA 0.116 54.099 54.000 -0.028 0.000 0.842 1610 D CB 0.256 41.038 40.800 -0.030 0.000 0.947 1610 D HN 0.585 nan 8.370 nan 0.000 0.509 1611 E N 0.358 120.552 120.200 -0.009 0.000 2.415 1611 E HA 0.177 4.536 4.350 0.015 0.000 0.262 1611 E C -0.086 176.517 176.600 0.005 0.000 1.038 1611 E CA 0.175 56.576 56.400 0.001 0.000 0.921 1611 E CB 0.999 30.702 29.700 0.005 0.000 0.950 1611 E HN 0.056 nan 8.360 nan 0.000 0.438 1612 I N 5.213 125.796 120.570 0.021 0.000 2.362 1612 I HA 0.231 4.410 4.170 0.015 0.000 0.289 1612 I C -2.014 174.145 176.117 0.069 0.000 0.994 1612 I CA -2.264 59.064 61.300 0.046 0.000 1.158 1612 I CB 1.434 39.462 38.000 0.047 0.000 1.315 1612 I HN 0.359 nan 8.210 nan 0.000 0.451 1613 P HA 0.120 nan 4.420 nan 0.000 0.268 1613 P C -0.070 177.266 177.300 0.061 0.000 1.204 1613 P CA -0.224 62.925 63.100 0.081 0.000 0.768 1613 P CB 1.061 32.841 31.700 0.133 0.000 0.842 1614 K N 1.067 121.444 120.400 -0.038 0.000 2.062 1614 K HA -0.067 4.262 4.320 0.015 0.000 0.205 1614 K C 0.593 177.012 176.600 -0.301 0.000 1.051 1614 K CA 1.464 57.703 56.287 -0.081 0.000 0.941 1614 K CB 0.004 32.467 32.500 -0.061 0.000 0.719 1614 K HN 0.690 nan 8.250 nan 0.000 0.440 1615 D N -2.143 117.969 120.400 -0.480 0.000 2.798 1615 D HA 0.020 4.669 4.640 0.015 0.000 0.308 1615 D C 0.454 176.271 176.300 -0.804 0.000 1.187 1615 D CA -0.743 52.812 54.000 -0.742 0.000 1.033 1615 D CB 0.395 40.997 40.800 -0.329 0.000 1.445 1615 D HN -0.131 nan 8.370 nan 0.000 0.550 1616 E N -0.356 119.534 120.200 -0.516 0.000 2.077 1616 E HA -0.250 4.110 4.350 0.015 0.000 0.193 1616 E C 1.459 178.071 176.600 0.022 0.000 0.989 1616 E CA 1.212 57.572 56.400 -0.067 0.000 0.800 1616 E CB 0.119 29.881 29.700 0.102 0.000 0.746 1616 E HN 0.560 nan 8.360 nan 0.000 0.452 1617 E N -0.732 119.440 120.200 -0.046 0.000 2.051 1617 E HA -0.156 4.203 4.350 0.015 0.000 0.192 1617 E C 1.964 178.539 176.600 -0.042 0.000 0.991 1617 E CA 1.251 57.635 56.400 -0.027 0.000 0.799 1617 E CB -0.299 29.379 29.700 -0.036 0.000 0.748 1617 E HN 0.375 nan 8.360 nan 0.000 0.449 1618 G N 0.274 109.029 108.800 -0.074 0.000 2.432 1618 G HA2 -0.256 3.713 3.960 0.015 0.000 0.219 1618 G HA3 -0.256 3.713 3.960 0.015 0.000 0.219 1618 G C 1.587 176.473 174.900 -0.023 0.000 1.135 1618 G CA 0.824 45.892 45.100 -0.054 0.000 0.767 1618 G HN 0.401 nan 8.290 nan 0.000 0.550 1619 A N 0.908 123.733 122.820 0.008 0.000 1.898 1619 A HA 0.071 4.400 4.320 0.015 0.000 0.216 1619 A C 2.380 179.937 177.584 -0.045 0.000 1.181 1619 A CA 1.158 53.240 52.037 0.076 0.000 0.620 1619 A CB -0.322 18.859 19.000 0.301 0.000 0.819 1619 A HN 0.355 nan 8.150 nan 0.000 0.442 1620 I N -0.269 120.239 120.570 -0.103 0.000 2.127 1620 I HA -0.257 3.922 4.170 0.015 0.000 0.241 1620 I C 2.397 178.437 176.117 -0.128 0.000 1.075 1620 I CA 1.496 62.662 61.300 -0.224 0.000 1.334 1620 I CB -0.673 37.238 38.000 -0.150 0.000 1.040 1620 I HN 0.155 nan 8.210 nan 0.000 0.405 1621 V N 0.717 120.590 119.914 -0.069 0.000 2.282 1621 V HA -0.341 3.788 4.120 0.015 0.000 0.249 1621 V C 2.489 178.566 176.094 -0.028 0.000 1.057 1621 V CA 2.180 64.454 62.300 -0.042 0.000 1.032 1621 V CB -0.506 31.301 31.823 -0.028 0.000 0.645 1621 V HN 0.399 nan 8.190 nan 0.000 0.447 1622 M N -1.160 118.427 119.600 -0.022 0.000 2.229 1622 M HA -0.119 4.370 4.480 0.015 0.000 0.264 1622 M C 2.092 178.400 176.300 0.014 0.000 1.063 1622 M CA 1.524 56.825 55.300 0.001 0.000 1.114 1622 M CB -0.321 32.281 32.600 0.004 0.000 1.387 1622 M HN 0.348 nan 8.290 nan 0.000 0.420 1623 L N 0.553 121.759 121.223 -0.028 0.000 2.109 1623 L HA -0.128 4.221 4.340 0.015 0.000 0.207 1623 L C 2.257 179.135 176.870 0.013 0.000 1.086 1623 L CA 1.854 56.683 54.840 -0.017 0.000 0.760 1623 L CB -0.615 41.374 42.059 -0.116 0.000 0.910 1623 L HN 0.175 nan 8.230 nan 0.000 0.437 1624 K N -0.444 119.940 120.400 -0.028 0.000 2.026 1624 K HA -0.254 4.075 4.320 0.015 0.000 0.208 1624 K C 2.445 179.050 176.600 0.009 0.000 1.048 1624 K CA 1.707 57.984 56.287 -0.017 0.000 0.929 1624 K CB -0.248 32.232 32.500 -0.033 0.000 0.713 1624 K HN 0.298 nan 8.250 nan 0.000 0.439 1625 R N -0.458 120.054 120.500 0.019 0.000 2.081 1625 R HA -0.209 4.140 4.340 0.015 0.000 0.235 1625 R C 2.345 178.669 176.300 0.040 0.000 1.131 1625 R CA 2.052 58.168 56.100 0.025 0.000 0.960 1625 R CB -0.436 29.880 30.300 0.027 0.000 0.856 1625 R HN 0.412 nan 8.270 nan 0.000 0.436 1626 H N 0.233 119.293 119.070 -0.017 0.000 2.387 1626 H HA -0.041 4.525 4.556 0.016 0.000 0.299 1626 H C 1.871 177.197 175.328 -0.003 0.000 1.090 1626 H CA 1.943 57.983 56.048 -0.012 0.000 1.332 1626 H CB -0.067 29.685 29.762 -0.017 0.000 1.386 1626 H HN 0.197 nan 8.280 nan 0.000 0.516 1627 L N -0.553 120.665 121.223 -0.008 0.000 2.141 1627 L HA -0.097 4.252 4.340 0.015 0.000 0.209 1627 L C 2.604 179.431 176.870 -0.070 0.000 1.094 1627 L CA 1.054 55.865 54.840 -0.049 0.000 0.763 1627 L CB -0.258 41.811 42.059 0.017 0.000 0.908 1627 L HN 0.150 nan 8.230 nan 0.000 0.437 1628 R N -0.031 120.442 120.500 -0.046 0.000 2.081 1628 R HA -0.150 4.199 4.340 0.015 0.000 0.235 1628 R C 2.403 178.678 176.300 -0.041 0.000 1.131 1628 R CA 1.386 57.471 56.100 -0.025 0.000 0.960 1628 R CB -0.275 30.020 30.300 -0.007 0.000 0.856 1628 R HN 0.393 nan 8.270 nan 0.000 0.436 1629 Q N -0.308 119.435 119.800 -0.094 0.000 2.084 1629 Q HA -0.233 4.116 4.340 0.015 0.000 0.202 1629 Q C 2.152 178.076 176.000 -0.127 0.000 0.978 1629 Q CA 1.632 57.372 55.803 -0.105 0.000 0.844 1629 Q CB -0.088 28.565 28.738 -0.141 0.000 0.898 1629 Q HN 0.418 nan 8.270 nan 0.000 0.426 1630 Q N 0.771 120.412 119.800 -0.266 0.000 2.124 1630 Q HA -0.163 4.186 4.340 0.015 0.000 0.202 1630 Q C 1.984 177.966 176.000 -0.030 0.000 0.977 1630 Q CA 1.038 56.729 55.803 -0.187 0.000 0.850 1630 Q CB 0.139 28.714 28.738 -0.272 0.000 0.901 1630 Q HN 0.243 nan 8.270 nan 0.000 0.429 1631 R N -0.373 120.117 120.500 -0.016 0.000 2.096 1631 R HA -0.122 4.227 4.340 0.015 0.000 0.235 1631 R C 2.250 178.602 176.300 0.086 0.000 1.127 1631 R CA 1.083 57.204 56.100 0.035 0.000 0.968 1631 R CB -0.279 30.037 30.300 0.025 0.000 0.861 1631 R HN 0.299 nan 8.270 nan 0.000 0.440 1632 A N 0.519 123.404 122.820 0.109 0.000 1.898 1632 A HA -0.095 4.234 4.320 0.015 0.000 0.216 1632 A C 2.325 180.115 177.584 0.343 0.000 1.181 1632 A CA 1.148 53.310 52.037 0.209 0.000 0.620 1632 A CB -0.482 18.655 19.000 0.230 0.000 0.819 1632 A HN 0.111 nan 8.150 nan 0.000 0.442 1633 V N 0.126 120.239 119.914 0.332 0.000 2.332 1633 V HA -0.280 3.850 4.120 0.015 0.000 0.248 1633 V C 2.626 178.969 176.094 0.414 0.000 1.055 1633 V CA 2.573 65.145 62.300 0.454 0.000 1.038 1633 V CB -0.656 31.293 31.823 0.209 0.000 0.651 1633 V HN 0.770 nan 8.190 nan 0.000 0.450 1634 E N 0.713 121.059 120.200 0.244 0.000 2.038 1634 E HA -0.263 4.096 4.350 0.015 0.000 0.195 1634 E C 1.736 178.453 176.600 0.195 0.000 1.000 1634 E CA 2.126 58.649 56.400 0.206 0.000 0.803 1634 E CB -0.423 29.345 29.700 0.114 0.000 0.750 1634 E HN 0.651 nan 8.360 nan 0.000 0.448 1635 D N -1.152 119.335 120.400 0.144 0.000 2.149 1635 D HA -0.175 4.475 4.640 0.015 0.000 0.198 1635 D C 1.388 177.690 176.300 0.004 0.000 0.990 1635 D CA 1.045 55.083 54.000 0.064 0.000 0.839 1635 D CB -0.287 40.544 40.800 0.052 0.000 0.948 1635 D HN 0.275 nan 8.370 nan 0.000 0.460 1636 Y N 0.933 121.170 120.300 -0.104 0.000 2.403 1636 Y HA -0.068 4.492 4.550 0.015 0.000 0.291 1636 Y C 2.334 178.030 175.900 -0.340 0.000 1.143 1636 Y CA 1.303 59.193 58.100 -0.351 0.000 1.257 1636 Y CB -0.422 37.652 38.460 -0.643 0.000 0.984 1636 Y HN -0.011 nan 8.280 nan 0.000 0.550 1637 G N -0.041 108.727 108.800 -0.053 0.000 2.507 1637 G HA2 -0.350 3.619 3.960 0.015 0.000 0.221 1637 G HA3 -0.350 3.619 3.960 0.015 0.000 0.221 1637 G C 1.866 176.635 174.900 -0.217 0.000 1.119 1637 G CA 1.054 46.065 45.100 -0.148 0.000 0.751 1637 G HN 0.340 nan 8.290 nan 0.000 0.574 1638 R N 0.144 120.519 120.500 -0.209 0.000 2.080 1638 R HA -0.119 4.230 4.340 0.015 0.000 0.236 1638 R C 2.613 178.735 176.300 -0.296 0.000 1.137 1638 R CA 1.755 57.727 56.100 -0.213 0.000 0.943 1638 R CB -0.404 29.778 30.300 -0.196 0.000 0.846 1638 R HN 0.383 nan 8.270 nan 0.000 0.431 1639 N N 0.251 118.663 118.700 -0.480 0.000 2.061 1639 N HA -0.177 4.572 4.740 0.015 0.000 0.193 1639 N C 1.668 176.954 175.510 -0.374 0.000 1.030 1639 N CA 1.422 54.157 53.050 -0.525 0.000 0.856 1639 N CB -0.206 37.707 38.487 -0.957 0.000 1.023 1639 N HN 0.134 nan 8.380 nan 0.000 0.424 1640 I N 1.209 121.537 120.570 -0.404 0.000 2.208 1640 I HA -0.241 3.938 4.170 0.015 0.000 0.245 1640 I C 1.861 177.877 176.117 -0.169 0.000 1.097 1640 I CA 1.436 62.561 61.300 -0.292 0.000 1.363 1640 I CB -0.939 36.779 38.000 -0.470 0.000 1.051 1640 I HN 0.229 nan 8.210 nan 0.000 0.413 1641 K N 0.368 120.671 120.400 -0.162 0.000 2.025 1641 K HA -0.190 4.139 4.320 0.015 0.000 0.207 1641 K C 2.154 178.705 176.600 -0.082 0.000 1.049 1641 K CA 1.228 57.459 56.287 -0.093 0.000 0.933 1641 K CB -0.200 32.253 32.500 -0.077 0.000 0.714 1641 K HN 0.344 nan 8.250 nan 0.000 0.438 1642 Q N 0.824 120.557 119.800 -0.111 0.000 2.096 1642 Q HA -0.145 4.204 4.340 0.015 0.000 0.204 1642 Q C 2.148 178.116 176.000 -0.055 0.000 0.982 1642 Q CA 1.329 57.077 55.803 -0.091 0.000 0.850 1642 Q CB -0.102 28.563 28.738 -0.122 0.000 0.901 1642 Q HN 0.261 nan 8.270 nan 0.000 0.422 1643 L N -0.349 120.840 121.223 -0.057 0.000 2.046 1643 L HA -0.217 4.132 4.340 0.015 0.000 0.208 1643 L C 2.391 179.322 176.870 0.100 0.000 1.077 1643 L CA 1.060 55.922 54.840 0.036 0.000 0.747 1643 L CB -0.470 41.584 42.059 -0.008 0.000 0.896 1643 L HN 0.255 nan 8.230 nan 0.000 0.432 1644 A N -1.232 121.604 122.820 0.028 0.000 1.902 1644 A HA -0.239 4.090 4.320 0.015 0.000 0.217 1644 A C 2.518 180.092 177.584 -0.018 0.000 1.181 1644 A CA 2.009 54.053 52.037 0.013 0.000 0.623 1644 A CB -0.738 18.260 19.000 -0.003 0.000 0.818 1644 A HN 0.403 nan 8.150 nan 0.000 0.443 1645 S N -0.730 114.956 115.700 -0.024 0.000 2.383 1645 S HA -0.172 4.307 4.470 0.015 0.000 0.227 1645 S C 2.175 176.748 174.600 -0.045 0.000 1.026 1645 S CA 1.452 59.631 58.200 -0.035 0.000 0.981 1645 S CB -0.323 62.855 63.200 -0.036 0.000 0.818 1645 S HN 0.589 nan 8.310 nan 0.000 0.472 1646 R N 0.474 120.956 120.500 -0.030 0.000 2.081 1646 R HA 0.052 4.401 4.340 0.015 0.000 0.235 1646 R C 2.653 178.871 176.300 -0.137 0.000 1.131 1646 R CA 1.327 57.403 56.100 -0.041 0.000 0.960 1646 R CB -0.548 29.772 30.300 0.033 0.000 0.856 1646 R HN 0.514 nan 8.270 nan 0.000 0.436 1647 A N 0.401 123.108 122.820 -0.189 0.000 1.898 1647 A HA -0.216 4.113 4.320 0.015 0.000 0.216 1647 A C 2.063 179.498 177.584 -0.248 0.000 1.181 1647 A CA 1.268 53.056 52.037 -0.415 0.000 0.620 1647 A CB -0.413 18.332 19.000 -0.424 0.000 0.819 1647 A HN 0.187 nan 8.150 nan 0.000 0.442 1648 Q N -0.019 119.697 119.800 -0.141 0.000 2.135 1648 Q HA -0.064 4.285 4.340 0.015 0.000 0.204 1648 Q C 1.948 177.894 176.000 -0.089 0.000 0.981 1648 Q CA 1.992 57.737 55.803 -0.096 0.000 0.856 1648 Q CB -0.971 27.730 28.738 -0.061 0.000 0.902 1648 Q HN 0.551 nan 8.270 nan 0.000 0.425 1649 G N 0.039 108.784 108.800 -0.091 0.000 2.421 1649 G HA2 -0.225 3.744 3.960 0.015 0.000 0.216 1649 G HA3 -0.225 3.744 3.960 0.015 0.000 0.216 1649 G C 1.345 176.196 174.900 -0.082 0.000 1.171 1649 G CA 0.898 45.955 45.100 -0.073 0.000 0.775 1649 G HN 0.382 nan 8.290 nan 0.000 0.543 1650 L N -0.316 120.824 121.223 -0.137 0.000 2.017 1650 L HA -0.046 4.303 4.340 0.015 0.000 0.208 1650 L C 2.715 179.531 176.870 -0.089 0.000 1.073 1650 L CA 0.790 55.539 54.840 -0.151 0.000 0.745 1650 L CB -0.450 41.417 42.059 -0.320 0.000 0.894 1650 L HN 0.269 nan 8.230 nan 0.000 0.432 1651 L N -0.111 121.046 121.223 -0.110 0.000 1.994 1651 L HA -0.211 4.138 4.340 0.015 0.000 0.208 1651 L C 2.834 179.688 176.870 -0.027 0.000 1.071 1651 L CA 2.238 57.043 54.840 -0.058 0.000 0.745 1651 L CB -0.641 41.377 42.059 -0.068 0.000 0.892 1651 L HN 0.361 nan 8.230 nan 0.000 0.431 1652 S N -0.192 115.486 115.700 -0.036 0.000 2.419 1652 S HA -0.124 4.355 4.470 0.015 0.000 0.235 1652 S C 1.918 176.511 174.600 -0.012 0.000 1.019 1652 S CA 0.777 58.964 58.200 -0.022 0.000 0.982 1652 S CB -0.983 62.202 63.200 -0.026 0.000 0.789 1652 S HN 0.534 nan 8.310 nan 0.000 0.490 1653 A N 0.681 123.496 122.820 -0.008 0.000 2.252 1653 A HA 0.506 4.835 4.320 0.015 0.000 0.207 1653 A C 1.772 179.368 177.584 0.020 0.000 1.194 1653 A CA 0.604 52.645 52.037 0.007 0.000 0.809 1653 A CB -1.550 17.457 19.000 0.013 0.000 0.814 1653 A HN 1.595 nan 8.150 nan 0.000 0.482 1654 G N -0.811 108.000 108.800 0.020 0.000 2.203 1654 G HA2 -0.329 3.640 3.960 0.015 0.000 0.263 1654 G HA3 -0.329 3.640 3.960 0.015 0.000 0.263 1654 G C 0.204 175.125 174.900 0.035 0.000 1.012 1654 G CA 0.469 45.581 45.100 0.019 0.000 0.749 1654 G HN 0.901 nan 8.290 nan 0.000 0.512 1655 H N 1.013 120.065 119.070 -0.029 0.000 3.001 1655 H HA 0.114 4.679 4.556 0.015 0.000 0.334 1655 H C -0.711 174.610 175.328 -0.012 0.000 1.034 1655 H CA -0.219 55.815 56.048 -0.023 0.000 1.420 1655 H CB 1.006 30.743 29.762 -0.041 0.000 1.405 1655 H HN 0.094 nan 8.280 nan 0.000 0.593 1656 P HA -0.109 nan 4.420 nan 0.000 0.219 1656 P C 0.641 178.021 177.300 0.133 0.000 1.146 1656 P CA 1.225 64.305 63.100 -0.034 0.000 0.808 1656 P CB 0.335 31.954 31.700 -0.135 0.000 0.779 1657 E N -1.307 119.129 120.200 0.393 0.000 2.489 1657 E HA 0.097 4.456 4.350 0.015 0.000 0.193 1657 E C 2.015 178.706 176.600 0.152 0.000 1.057 1657 E CA 0.232 56.806 56.400 0.289 0.000 0.866 1657 E CB -1.053 28.860 29.700 0.355 0.000 0.916 1657 E HN 0.121 nan 8.360 nan 0.000 0.500 1658 G N 1.234 110.108 108.800 0.123 0.000 2.606 1658 G HA2 -0.448 3.521 3.960 0.015 0.000 0.221 1658 G HA3 -0.448 3.521 3.960 0.015 0.000 0.221 1658 G C 1.457 176.358 174.900 0.002 0.000 1.152 1658 G CA 1.315 46.425 45.100 0.017 0.000 0.765 1658 G HN 0.413 nan 8.290 nan 0.000 0.595 1659 E N -0.241 119.977 120.200 0.029 0.000 2.038 1659 E HA -0.247 4.112 4.350 0.015 0.000 0.195 1659 E C 2.470 179.093 176.600 0.038 0.000 1.000 1659 E CA 1.553 57.969 56.400 0.027 0.000 0.803 1659 E CB -0.260 29.459 29.700 0.032 0.000 0.750 1659 E HN 0.640 nan 8.360 nan 0.000 0.448 1660 Q N 0.127 119.968 119.800 0.068 0.000 2.061 1660 Q HA -0.187 4.162 4.340 0.015 0.000 0.204 1660 Q C 2.292 178.361 176.000 0.115 0.000 0.984 1660 Q CA 1.870 57.735 55.803 0.103 0.000 0.846 1660 Q CB -0.102 28.726 28.738 0.150 0.000 0.902 1660 Q HN 0.395 nan 8.270 nan 0.000 0.421 1661 I N 0.334 120.935 120.570 0.052 0.000 2.179 1661 I HA -0.297 3.882 4.170 0.015 0.000 0.242 1661 I C 2.111 178.166 176.117 -0.103 0.000 1.088 1661 I CA 0.651 61.893 61.300 -0.096 0.000 1.357 1661 I CB -0.244 37.507 38.000 -0.416 0.000 1.051 1661 I HN 0.319 nan 8.210 nan 0.000 0.409 1662 I N 0.671 121.190 120.570 -0.085 0.000 2.208 1662 I HA -0.302 3.877 4.170 0.015 0.000 0.245 1662 I C 2.659 178.778 176.117 0.004 0.000 1.097 1662 I CA 1.538 62.808 61.300 -0.051 0.000 1.363 1662 I CB -1.201 36.774 38.000 -0.043 0.000 1.051 1662 I HN 0.308 nan 8.210 nan 0.000 0.413 1663 R N 0.765 121.280 120.500 0.025 0.000 2.091 1663 R HA -0.165 4.184 4.340 0.015 0.000 0.238 1663 R C 2.395 178.730 176.300 0.059 0.000 1.136 1663 R CA 1.296 57.419 56.100 0.038 0.000 0.959 1663 R CB -0.188 30.137 30.300 0.043 0.000 0.856 1663 R HN 0.292 nan 8.270 nan 0.000 0.437 1664 L N 0.422 121.711 121.223 0.111 0.000 2.046 1664 L HA -0.196 4.153 4.340 0.015 0.000 0.208 1664 L C 2.678 179.638 176.870 0.149 0.000 1.077 1664 L CA 1.420 56.358 54.840 0.163 0.000 0.747 1664 L CB -0.422 41.825 42.059 0.313 0.000 0.896 1664 L HN 0.308 nan 8.230 nan 0.000 0.432 1665 Q N 0.263 120.162 119.800 0.165 0.000 2.084 1665 Q HA -0.146 4.204 4.340 0.015 0.000 0.202 1665 Q C 2.047 178.078 176.000 0.052 0.000 0.978 1665 Q CA 1.942 57.826 55.803 0.134 0.000 0.844 1665 Q CB -0.646 28.149 28.738 0.095 0.000 0.898 1665 Q HN 0.427 nan 8.270 nan 0.000 0.426 1666 G N -0.049 108.767 108.800 0.026 0.000 2.469 1666 G HA2 -0.330 3.640 3.960 0.015 0.000 0.220 1666 G HA3 -0.330 3.640 3.960 0.015 0.000 0.220 1666 G C 1.304 176.175 174.900 -0.048 0.000 1.136 1666 G CA 0.972 46.071 45.100 -0.001 0.000 0.759 1666 G HN 0.451 nan 8.290 nan 0.000 0.562 1667 Q N -0.529 119.224 119.800 -0.078 0.000 2.123 1667 Q HA 0.017 4.366 4.340 0.015 0.000 0.199 1667 Q C 2.883 178.698 176.000 -0.307 0.000 0.966 1667 Q CA 0.939 56.588 55.803 -0.256 0.000 0.845 1667 Q CB -0.063 28.567 28.738 -0.179 0.000 0.907 1667 Q HN 0.411 nan 8.270 nan 0.000 0.439 1668 V N 1.420 121.297 119.914 -0.062 0.000 2.358 1668 V HA -0.241 3.888 4.120 0.015 0.000 0.246 1668 V C 1.563 177.708 176.094 0.085 0.000 1.047 1668 V CA 1.849 64.174 62.300 0.041 0.000 1.035 1668 V CB -0.440 31.427 31.823 0.074 0.000 0.658 1668 V HN 0.313 nan 8.190 nan 0.000 0.452 1669 D N 0.038 120.475 120.400 0.062 0.000 2.104 1669 D HA -0.203 4.446 4.640 0.015 0.000 0.194 1669 D C 2.128 178.502 176.300 0.123 0.000 0.994 1669 D CA 1.672 55.741 54.000 0.116 0.000 0.830 1669 D CB -0.216 40.627 40.800 0.071 0.000 0.959 1669 D HN 0.435 nan 8.370 nan 0.000 0.452 1670 K N 0.157 120.567 120.400 0.017 0.000 1.991 1670 K HA -0.181 4.148 4.320 0.015 0.000 0.212 1670 K C 2.085 178.766 176.600 0.134 0.000 1.049 1670 K CA 1.416 57.719 56.287 0.027 0.000 0.932 1670 K CB -0.229 32.238 32.500 -0.055 0.000 0.717 1670 K HN 0.326 nan 8.250 nan 0.000 0.441 1671 H N -1.832 117.307 119.070 0.116 0.000 2.387 1671 H HA -0.185 4.380 4.556 0.015 0.000 0.299 1671 H C 1.992 177.416 175.328 0.161 0.000 1.099 1671 H CA 1.383 57.499 56.048 0.113 0.000 1.315 1671 H CB -0.104 29.725 29.762 0.112 0.000 1.380 1671 H HN 0.314 nan 8.280 nan 0.000 0.513 1672 Y N 1.344 121.762 120.300 0.196 0.000 2.200 1672 Y HA -0.157 4.403 4.550 0.016 0.000 0.290 1672 Y C 2.542 178.519 175.900 0.128 0.000 1.137 1672 Y CA 0.908 59.111 58.100 0.172 0.000 1.163 1672 Y CB -0.475 38.088 38.460 0.171 0.000 0.988 1672 Y HN 0.154 nan 8.280 nan 0.000 0.518 1673 A N -0.049 122.807 122.820 0.061 0.000 1.972 1673 A HA -0.059 4.270 4.320 0.015 0.000 0.219 1673 A C 2.476 180.025 177.584 -0.057 0.000 1.169 1673 A CA 1.554 53.564 52.037 -0.045 0.000 0.635 1673 A CB -1.610 17.414 19.000 0.040 0.000 0.810 1673 A HN 0.577 nan 8.150 nan 0.000 0.446 1674 G N 0.105 108.911 108.800 0.010 0.000 2.433 1674 G HA2 -0.164 3.805 3.960 0.015 0.000 0.216 1674 G HA3 -0.164 3.805 3.960 0.015 0.000 0.216 1674 G C 1.491 176.365 174.900 -0.043 0.000 1.186 1674 G CA 1.199 46.302 45.100 0.006 0.000 0.779 1674 G HN 0.562 nan 8.290 nan 0.000 0.543 1675 L N 0.703 121.890 121.223 -0.059 0.000 2.042 1675 L HA -0.003 4.347 4.340 0.015 0.000 0.210 1675 L C 2.639 179.429 176.870 -0.134 0.000 1.076 1675 L CA 2.118 56.903 54.840 -0.092 0.000 0.749 1675 L CB -0.504 41.515 42.059 -0.067 0.000 0.893 1675 L HN 0.119 nan 8.230 nan 0.000 0.432 1676 K N -0.438 119.822 120.400 -0.234 0.000 2.103 1676 K HA -0.177 4.152 4.320 0.015 0.000 0.207 1676 K C 1.766 178.315 176.600 -0.085 0.000 1.048 1676 K CA 1.631 57.803 56.287 -0.192 0.000 0.930 1676 K CB -0.311 32.033 32.500 -0.259 0.000 0.716 1676 K HN 0.479 nan 8.250 nan 0.000 0.444 1677 D N 0.429 120.788 120.400 -0.068 0.000 2.097 1677 D HA -0.117 4.532 4.640 0.015 0.000 0.197 1677 D C 2.030 178.314 176.300 -0.027 0.000 0.984 1677 D CA 0.797 54.775 54.000 -0.036 0.000 0.826 1677 D CB -0.325 40.459 40.800 -0.027 0.000 0.973 1677 D HN -0.083 nan 8.370 nan 0.000 0.460 1678 V N 1.623 121.517 119.914 -0.033 0.000 2.287 1678 V HA -0.261 3.868 4.120 0.015 0.000 0.248 1678 V C 2.540 178.640 176.094 0.010 0.000 1.053 1678 V CA 1.924 64.209 62.300 -0.026 0.000 1.027 1678 V CB -0.737 31.061 31.823 -0.042 0.000 0.646 1678 V HN 0.191 nan 8.190 nan 0.000 0.447 1679 A N -1.427 121.413 122.820 0.034 0.000 1.933 1679 A HA -0.251 4.078 4.320 0.015 0.000 0.218 1679 A C 2.319 180.007 177.584 0.173 0.000 1.175 1679 A CA 2.168 54.293 52.037 0.146 0.000 0.628 1679 A CB -0.971 18.067 19.000 0.064 0.000 0.814 1679 A HN 0.613 nan 8.150 nan 0.000 0.444 1680 C N -1.300 118.041 119.300 0.069 0.000 2.466 1680 C HA -0.006 4.463 4.460 0.015 0.000 0.278 1680 C C 2.676 177.675 174.990 0.014 0.000 1.288 1680 C CA 1.193 60.243 59.018 0.052 0.000 1.722 1680 C CB -0.812 26.941 27.740 0.021 0.000 2.017 1680 C HN 0.763 nan 8.230 nan 0.000 0.488 1681 E N 1.587 121.780 120.200 -0.011 0.000 2.058 1681 E HA -0.237 4.122 4.350 0.015 0.000 0.194 1681 E C 2.214 178.768 176.600 -0.077 0.000 0.997 1681 E CA 1.702 58.078 56.400 -0.040 0.000 0.801 1681 E CB -0.328 29.348 29.700 -0.040 0.000 0.746 1681 E HN 0.493 nan 8.360 nan 0.000 0.450 1682 R N 0.910 121.345 120.500 -0.108 0.000 2.081 1682 R HA -0.098 4.252 4.340 0.015 0.000 0.235 1682 R C 2.317 178.414 176.300 -0.338 0.000 1.131 1682 R CA 2.153 58.110 56.100 -0.237 0.000 0.960 1682 R CB -0.414 29.703 30.300 -0.304 0.000 0.856 1682 R HN 0.161 nan 8.270 nan 0.000 0.436 1683 K N 0.139 120.375 120.400 -0.273 0.000 2.057 1683 K HA -0.181 4.149 4.320 0.015 0.000 0.207 1683 K C 2.241 178.801 176.600 -0.067 0.000 1.049 1683 K CA 1.520 57.725 56.287 -0.137 0.000 0.931 1683 K CB -0.191 32.379 32.500 0.116 0.000 0.714 1683 K HN 0.188 nan 8.250 nan 0.000 0.440 1684 R N 1.127 121.596 120.500 -0.051 0.000 2.080 1684 R HA -0.197 4.152 4.340 0.015 0.000 0.236 1684 R C 2.267 178.518 176.300 -0.083 0.000 1.137 1684 R CA 2.114 58.187 56.100 -0.046 0.000 0.943 1684 R CB -0.159 30.114 30.300 -0.046 0.000 0.846 1684 R HN 0.058 nan 8.270 nan 0.000 0.431 1685 K N 0.303 120.639 120.400 -0.105 0.000 2.057 1685 K HA -0.100 4.229 4.320 0.015 0.000 0.207 1685 K C 2.123 178.666 176.600 -0.096 0.000 1.049 1685 K CA 1.391 57.611 56.287 -0.112 0.000 0.931 1685 K CB -0.075 32.362 32.500 -0.105 0.000 0.714 1685 K HN 0.210 nan 8.250 nan 0.000 0.440 1686 L N 0.248 121.411 121.223 -0.101 0.000 2.109 1686 L HA -0.123 4.226 4.340 0.015 0.000 0.207 1686 L C 2.229 179.085 176.870 -0.025 0.000 1.086 1686 L CA 1.153 55.960 54.840 -0.055 0.000 0.760 1686 L CB -0.326 41.679 42.059 -0.090 0.000 0.910 1686 L HN 0.279 nan 8.230 nan 0.000 0.437 1687 E N 0.230 120.399 120.200 -0.051 0.000 2.038 1687 E HA -0.231 4.128 4.350 0.015 0.000 0.195 1687 E C 1.930 178.423 176.600 -0.179 0.000 1.000 1687 E CA 1.495 57.835 56.400 -0.100 0.000 0.803 1687 E CB -0.036 29.667 29.700 0.006 0.000 0.750 1687 E HN 0.429 nan 8.360 nan 0.000 0.448 1688 N N 0.418 119.067 118.700 -0.085 0.000 2.043 1688 N HA -0.179 4.571 4.740 0.015 0.000 0.193 1688 N C 1.761 177.245 175.510 -0.044 0.000 1.037 1688 N CA 1.346 54.338 53.050 -0.097 0.000 0.851 1688 N CB -0.240 38.036 38.487 -0.351 0.000 1.027 1688 N HN 0.149 nan 8.380 nan 0.000 0.422 1689 M N -0.867 118.691 119.600 -0.070 0.000 2.159 1689 M HA -0.181 4.308 4.480 0.015 0.000 0.263 1689 M C 1.922 178.208 176.300 -0.022 0.000 1.063 1689 M CA 1.272 56.503 55.300 -0.116 0.000 1.110 1689 M CB -0.246 32.367 32.600 0.023 0.000 1.374 1689 M HN 0.208 nan 8.290 nan 0.000 0.411 1690 Y N 0.211 120.519 120.300 0.014 0.000 2.184 1690 Y HA -0.231 4.329 4.550 0.017 0.000 0.290 1690 Y C 2.376 178.362 175.900 0.144 0.000 1.129 1690 Y CA 1.680 59.859 58.100 0.132 0.000 1.144 1690 Y CB -0.595 37.853 38.460 -0.020 0.000 0.995 1690 Y HN 0.234 nan 8.280 nan 0.000 0.513 1691 H N -0.372 118.653 119.070 -0.075 0.000 2.387 1691 H HA -0.132 4.433 4.556 0.014 0.000 0.299 1691 H C 2.255 177.525 175.328 -0.097 0.000 1.090 1691 H CA 1.598 57.575 56.048 -0.119 0.000 1.332 1691 H CB -0.710 29.072 29.762 0.032 0.000 1.386 1691 H HN 0.405 nan 8.280 nan 0.000 0.516 1692 L N 0.094 121.339 121.223 0.035 0.000 2.093 1692 L HA -0.118 4.231 4.340 0.015 0.000 0.208 1692 L C 1.950 178.825 176.870 0.007 0.000 1.085 1692 L CA 1.175 55.986 54.840 -0.047 0.000 0.755 1692 L CB -0.640 41.335 42.059 -0.141 0.000 0.904 1692 L HN -0.042 nan 8.230 nan 0.000 0.435 1693 F N -0.333 119.683 119.950 0.111 0.000 2.102 1693 F HA -0.216 4.321 4.527 0.017 0.000 0.298 1693 F C 2.714 178.551 175.800 0.062 0.000 1.105 1693 F CA 1.674 59.730 58.000 0.093 0.000 1.239 1693 F CB -1.030 38.031 39.000 0.101 0.000 0.991 1693 F HN 0.206 nan 8.300 nan 0.000 0.474 1694 Q N 0.172 120.094 119.800 0.204 0.000 2.002 1694 Q HA -0.235 4.114 4.340 0.015 0.000 0.204 1694 Q C 2.263 178.399 176.000 0.227 0.000 0.988 1694 Q CA 1.897 57.792 55.803 0.154 0.000 0.843 1694 Q CB -0.498 28.267 28.738 0.044 0.000 0.908 1694 Q HN 0.365 nan 8.270 nan 0.000 0.420 1695 L N 1.252 122.620 121.223 0.242 0.000 2.042 1695 L HA -0.216 4.133 4.340 0.015 0.000 0.210 1695 L C 2.213 179.130 176.870 0.079 0.000 1.076 1695 L CA 2.193 57.124 54.840 0.151 0.000 0.749 1695 L CB -0.622 41.362 42.059 -0.125 0.000 0.893 1695 L HN 0.189 nan 8.230 nan 0.000 0.432 1696 K N -0.825 119.617 120.400 0.069 0.000 2.147 1696 K HA -0.224 4.105 4.320 0.015 0.000 0.205 1696 K C 2.433 178.963 176.600 -0.117 0.000 1.049 1696 K CA 1.341 57.510 56.287 -0.197 0.000 0.936 1696 K CB -0.169 32.246 32.500 -0.142 0.000 0.722 1696 K HN 0.344 nan 8.250 nan 0.000 0.446 1697 R N 0.672 121.180 120.500 0.013 0.000 2.073 1697 R HA -0.118 4.231 4.340 0.015 0.000 0.229 1697 R C 1.878 178.171 176.300 -0.011 0.000 1.120 1697 R CA 1.697 57.802 56.100 0.009 0.000 0.967 1697 R CB -0.025 30.305 30.300 0.050 0.000 0.862 1697 R HN 0.255 nan 8.270 nan 0.000 0.436 1698 E N -0.903 119.309 120.200 0.020 0.000 2.077 1698 E HA -0.145 4.214 4.350 0.015 0.000 0.193 1698 E C 1.783 178.362 176.600 -0.034 0.000 0.989 1698 E CA 1.932 58.337 56.400 0.009 0.000 0.800 1698 E CB 0.080 29.824 29.700 0.074 0.000 0.746 1698 E HN 0.294 nan 8.360 nan 0.000 0.452 1699 T N 0.792 115.308 114.554 -0.062 0.000 2.701 1699 T HA -0.137 4.223 4.350 0.015 0.000 0.263 1699 T C 1.187 175.815 174.700 -0.120 0.000 1.040 1699 T CA 1.397 63.431 62.100 -0.111 0.000 1.147 1699 T CB -0.316 68.433 68.868 -0.200 0.000 0.865 1699 T HN 0.117 nan 8.240 nan 0.000 0.426 1700 D N 1.255 121.564 120.400 -0.150 0.000 2.123 1700 D HA -0.100 4.549 4.640 0.015 0.000 0.196 1700 D C 2.005 178.284 176.300 -0.035 0.000 0.992 1700 D CA 0.963 54.898 54.000 -0.109 0.000 0.833 1700 D CB -0.371 40.362 40.800 -0.111 0.000 0.954 1700 D HN 0.342 nan 8.370 nan 0.000 0.455 1701 D N -0.042 120.344 120.400 -0.024 0.000 2.097 1701 D HA -0.108 4.541 4.640 0.015 0.000 0.197 1701 D C 2.180 178.510 176.300 0.050 0.000 0.984 1701 D CA 0.304 54.311 54.000 0.012 0.000 0.826 1701 D CB -0.246 40.548 40.800 -0.010 0.000 0.973 1701 D HN 0.118 nan 8.370 nan 0.000 0.460 1702 L N 1.631 122.853 121.223 -0.001 0.000 2.083 1702 L HA -0.143 4.206 4.340 0.015 0.000 0.209 1702 L C 1.890 178.846 176.870 0.144 0.000 1.083 1702 L CA 1.715 56.564 54.840 0.015 0.000 0.752 1702 L CB -0.487 41.524 42.059 -0.081 0.000 0.899 1702 L HN -0.024 nan 8.230 nan 0.000 0.433 1703 E N -1.109 119.141 120.200 0.083 0.000 2.072 1703 E HA -0.278 4.082 4.350 0.015 0.000 0.190 1703 E C 2.046 178.721 176.600 0.125 0.000 0.982 1703 E CA 1.088 57.548 56.400 0.100 0.000 0.803 1703 E CB -0.119 29.599 29.700 0.031 0.000 0.755 1703 E HN 0.601 nan 8.360 nan 0.000 0.453 1704 Q N 0.472 120.338 119.800 0.108 0.000 2.135 1704 Q HA -0.221 4.128 4.340 0.015 0.000 0.204 1704 Q C 1.750 177.847 176.000 0.161 0.000 0.981 1704 Q CA 1.679 57.546 55.803 0.106 0.000 0.856 1704 Q CB -0.398 28.392 28.738 0.085 0.000 0.902 1704 Q HN 0.395 nan 8.270 nan 0.000 0.425 1705 W N 0.598 121.907 121.300 0.016 0.000 2.354 1705 W HA -0.152 4.516 4.660 0.013 0.000 0.315 1705 W C 1.694 178.251 176.519 0.064 0.000 1.206 1705 W CA 2.006 59.368 57.345 0.029 0.000 1.290 1705 W CB -0.418 29.044 29.460 0.003 0.000 1.152 1705 W HN 0.209 nan 8.180 nan 0.000 0.489 1706 I N 0.252 121.003 120.570 0.301 0.000 2.151 1706 I HA -0.451 3.728 4.170 0.015 0.000 0.243 1706 I C 2.551 178.687 176.117 0.032 0.000 1.080 1706 I CA 1.949 63.350 61.300 0.169 0.000 1.339 1706 I CB -0.994 37.193 38.000 0.311 0.000 1.039 1706 I HN -0.094 nan 8.210 nan 0.000 0.409 1707 S N 0.201 115.934 115.700 0.054 0.000 2.365 1707 S HA -0.258 4.222 4.470 0.015 0.000 0.225 1707 S C 1.847 176.437 174.600 -0.017 0.000 1.039 1707 S CA 1.680 59.894 58.200 0.024 0.000 1.033 1707 S CB -0.387 62.833 63.200 0.033 0.000 0.887 1707 S HN 0.492 nan 8.310 nan 0.000 0.447 1708 E N 0.863 121.030 120.200 -0.054 0.000 2.051 1708 E HA -0.128 4.231 4.350 0.015 0.000 0.192 1708 E C 2.183 178.724 176.600 -0.098 0.000 0.991 1708 E CA 0.874 57.226 56.400 -0.080 0.000 0.799 1708 E CB -0.037 29.600 29.700 -0.106 0.000 0.748 1708 E HN 0.289 nan 8.360 nan 0.000 0.449 1709 K N 0.977 121.260 120.400 -0.195 0.000 2.097 1709 K HA -0.146 4.183 4.320 0.015 0.000 0.206 1709 K C 1.975 178.615 176.600 0.068 0.000 1.049 1709 K CA 0.959 57.206 56.287 -0.067 0.000 0.933 1709 K CB -0.188 32.114 32.500 -0.330 0.000 0.717 1709 K HN 0.258 nan 8.250 nan 0.000 0.442 1710 E N 0.885 121.098 120.200 0.020 0.000 2.049 1710 E HA -0.209 4.150 4.350 0.015 0.000 0.198 1710 E C 2.080 178.690 176.600 0.017 0.000 1.007 1710 E CA 0.930 57.352 56.400 0.037 0.000 0.809 1710 E CB -0.217 29.498 29.700 0.025 0.000 0.749 1710 E HN 0.039 nan 8.360 nan 0.000 0.450 1711 L N 0.625 121.845 121.223 -0.004 0.000 2.051 1711 L HA -0.243 4.106 4.340 0.015 0.000 0.214 1711 L C 2.294 179.137 176.870 -0.045 0.000 1.076 1711 L CA 1.384 56.212 54.840 -0.020 0.000 0.758 1711 L CB -0.296 41.750 42.059 -0.022 0.000 0.890 1711 L HN 0.006 nan 8.230 nan 0.000 0.433 1712 V N -0.878 118.995 119.914 -0.068 0.000 2.358 1712 V HA -0.249 3.880 4.120 0.015 0.000 0.246 1712 V C 2.626 178.634 176.094 -0.143 0.000 1.047 1712 V CA 1.529 63.714 62.300 -0.191 0.000 1.035 1712 V CB -1.207 30.342 31.823 -0.457 0.000 0.658 1712 V HN 0.559 nan 8.190 nan 0.000 0.452 1713 A N 0.538 123.352 122.820 -0.011 0.000 2.019 1713 A HA -0.168 4.161 4.320 0.015 0.000 0.219 1713 A C 2.433 180.004 177.584 -0.020 0.000 1.164 1713 A CA 1.860 53.959 52.037 0.102 0.000 0.644 1713 A CB -0.575 18.543 19.000 0.198 0.000 0.805 1713 A HN 0.663 nan 8.150 nan 0.000 0.449 1714 S N -0.574 115.108 115.700 -0.030 0.000 2.607 1714 S HA 0.069 4.548 4.470 0.015 0.000 0.224 1714 S C 0.932 175.495 174.600 -0.061 0.000 0.969 1714 S CA 0.630 58.804 58.200 -0.044 0.000 0.927 1714 S CB -0.766 62.418 63.200 -0.027 0.000 0.772 1714 S HN 0.393 nan 8.310 nan 0.000 0.533 1715 S N 3.645 119.299 115.700 -0.077 0.000 2.702 1715 S HA 0.098 4.577 4.470 0.015 0.000 0.314 1715 S C -1.130 173.423 174.600 -0.080 0.000 1.244 1715 S CA -0.644 57.510 58.200 -0.077 0.000 1.058 1715 S CB 0.707 63.852 63.200 -0.091 0.000 0.783 1715 S HN 0.449 nan 8.310 nan 0.000 0.503 1716 P HA 0.098 nan 4.420 nan 0.000 0.240 1716 P C 0.046 177.325 177.300 -0.034 0.000 1.190 1716 P CA 0.042 63.117 63.100 -0.042 0.000 0.781 1716 P CB 0.032 31.719 31.700 -0.022 0.000 0.931 1717 E N 0.556 120.735 120.200 -0.036 0.000 2.558 1717 E HA -0.013 4.346 4.350 0.015 0.000 0.255 1717 E C 0.928 177.511 176.600 -0.029 0.000 0.968 1717 E CA 0.626 57.015 56.400 -0.018 0.000 0.939 1717 E CB 0.150 29.839 29.700 -0.019 0.000 0.921 1717 E HN -0.051 nan 8.360 nan 0.000 0.477 1718 M N 2.380 121.992 119.600 0.020 0.000 2.338 1718 M HA 0.290 4.779 4.480 0.015 0.000 0.276 1718 M C 0.448 176.808 176.300 0.100 0.000 1.057 1718 M CA 0.897 56.232 55.300 0.059 0.000 1.079 1718 M CB -0.124 32.536 32.600 0.100 0.000 1.547 1718 M HN 0.600 nan 8.290 nan 0.000 0.549 1719 G N 2.341 111.186 108.800 0.074 0.000 3.233 1719 G HA2 -0.116 3.853 3.960 0.015 0.000 0.686 1719 G HA3 -0.116 3.853 3.960 0.015 0.000 0.686 1719 G C 0.210 175.214 174.900 0.173 0.000 1.153 1719 G CA -0.072 45.064 45.100 0.059 0.000 0.853 1719 G HN 0.482 nan 8.290 nan 0.000 0.582 1720 Q N 0.246 120.226 119.800 0.300 0.000 2.230 1720 Q HA 0.132 4.481 4.340 0.015 0.000 0.202 1720 Q C 0.573 176.580 176.000 0.011 0.000 0.963 1720 Q CA 1.611 57.488 55.803 0.123 0.000 0.866 1720 Q CB 0.163 28.927 28.738 0.043 0.000 0.931 1720 Q HN 0.921 nan 8.270 nan 0.000 0.452 1721 D N -2.561 117.768 120.400 -0.118 0.000 2.671 1721 D HA 0.026 4.676 4.640 0.015 0.000 0.273 1721 D C -0.211 175.943 176.300 -0.244 0.000 1.264 1721 D CA -0.859 53.020 54.000 -0.201 0.000 0.788 1721 D CB -0.243 40.558 40.800 0.002 0.000 1.324 1721 D HN -0.136 nan 8.370 nan 0.000 0.424 1722 F N 1.177 120.971 119.950 -0.259 0.000 2.087 1722 F HA -0.190 4.346 4.527 0.015 0.000 0.299 1722 F C 1.563 177.299 175.800 -0.108 0.000 1.100 1722 F CA 2.096 59.992 58.000 -0.173 0.000 1.226 1722 F CB -0.379 38.551 39.000 -0.116 0.000 0.983 1722 F HN 0.360 nan 8.300 nan 0.000 0.479 1723 D N -1.368 118.947 120.400 -0.142 0.000 2.133 1723 D HA -0.253 4.396 4.640 0.015 0.000 0.195 1723 D C 2.282 178.526 176.300 -0.093 0.000 0.997 1723 D CA 1.731 55.620 54.000 -0.185 0.000 0.840 1723 D CB -0.699 40.068 40.800 -0.055 0.000 0.947 1723 D HN 0.545 nan 8.370 nan 0.000 0.452 1724 H N 0.198 119.182 119.070 -0.145 0.000 2.299 1724 H HA -0.058 4.507 4.556 0.015 0.000 0.302 1724 H C 2.277 177.556 175.328 -0.081 0.000 1.078 1724 H CA 0.866 56.853 56.048 -0.101 0.000 1.323 1724 H CB 0.034 29.744 29.762 -0.087 0.000 1.381 1724 H HN -0.100 nan 8.280 nan 0.000 0.498 1725 V N 0.740 120.572 119.914 -0.136 0.000 2.332 1725 V HA -0.244 3.885 4.120 0.015 0.000 0.248 1725 V C 2.215 178.308 176.094 -0.002 0.000 1.055 1725 V CA 2.435 64.692 62.300 -0.072 0.000 1.038 1725 V CB -0.615 31.285 31.823 0.128 0.000 0.651 1725 V HN 0.576 nan 8.190 nan 0.000 0.450 1726 T N 0.517 115.031 114.554 -0.066 0.000 2.699 1726 T HA -0.226 4.133 4.350 0.015 0.000 0.268 1726 T C 1.729 176.389 174.700 -0.067 0.000 1.036 1726 T CA 2.074 64.142 62.100 -0.052 0.000 1.147 1726 T CB -0.371 68.334 68.868 -0.272 0.000 0.862 1726 T HN 0.336 nan 8.240 nan 0.000 0.446 1727 L N 0.541 121.720 121.223 -0.074 0.000 2.044 1727 L HA 0.168 4.517 4.340 0.015 0.000 0.205 1727 L C 2.248 179.091 176.870 -0.045 0.000 1.075 1727 L CA 1.368 56.183 54.840 -0.041 0.000 0.747 1727 L CB -0.860 41.201 42.059 0.004 0.000 0.903 1727 L HN 0.255 nan 8.230 nan 0.000 0.435 1728 L N -0.677 120.478 121.223 -0.114 0.000 2.013 1728 L HA -0.258 4.091 4.340 0.015 0.000 0.212 1728 L C 2.837 179.699 176.870 -0.013 0.000 1.073 1728 L CA 1.519 56.294 54.840 -0.109 0.000 0.753 1728 L CB -0.606 41.313 42.059 -0.232 0.000 0.890 1728 L HN 0.345 nan 8.230 nan 0.000 0.432 1729 R N 0.341 120.832 120.500 -0.016 0.000 2.073 1729 R HA -0.186 4.163 4.340 0.015 0.000 0.234 1729 R C 1.759 178.082 176.300 0.038 0.000 1.134 1729 R CA 2.076 58.181 56.100 0.008 0.000 0.952 1729 R CB -0.424 29.844 30.300 -0.055 0.000 0.850 1729 R HN 0.350 nan 8.270 nan 0.000 0.433 1730 D N 0.625 121.021 120.400 -0.007 0.000 2.117 1730 D HA -0.133 4.516 4.640 0.015 0.000 0.197 1730 D C 1.898 178.221 176.300 0.039 0.000 0.987 1730 D CA 1.218 55.217 54.000 -0.001 0.000 0.829 1730 D CB -0.083 40.702 40.800 -0.025 0.000 0.961 1730 D HN 0.257 nan 8.370 nan 0.000 0.460 1731 K N -0.489 119.942 120.400 0.051 0.000 2.057 1731 K HA -0.119 4.210 4.320 0.015 0.000 0.207 1731 K C 2.081 178.746 176.600 0.109 0.000 1.049 1731 K CA 0.572 56.899 56.287 0.066 0.000 0.931 1731 K CB -0.246 32.285 32.500 0.052 0.000 0.714 1731 K HN 0.097 nan 8.250 nan 0.000 0.440 1732 F N 1.625 121.578 119.950 0.006 0.000 2.186 1732 F HA -0.124 4.411 4.527 0.014 0.000 0.299 1732 F C 2.447 178.313 175.800 0.110 0.000 1.090 1732 F CA 1.188 59.214 58.000 0.044 0.000 1.307 1732 F CB 0.050 39.033 39.000 -0.028 0.000 1.019 1732 F HN -0.113 nan 8.300 nan 0.000 0.489 1733 R N 0.283 120.878 120.500 0.159 0.000 2.096 1733 R HA -0.171 4.178 4.340 0.015 0.000 0.235 1733 R C 1.865 178.158 176.300 -0.011 0.000 1.127 1733 R CA 1.978 58.122 56.100 0.074 0.000 0.968 1733 R CB -0.458 29.875 30.300 0.055 0.000 0.861 1733 R HN 0.221 nan 8.270 nan 0.000 0.440 1734 D N -0.093 120.308 120.400 0.002 0.000 2.084 1734 D HA -0.202 4.448 4.640 0.015 0.000 0.194 1734 D C 1.557 177.832 176.300 -0.041 0.000 0.990 1734 D CA 1.253 55.248 54.000 -0.008 0.000 0.826 1734 D CB -0.400 40.411 40.800 0.019 0.000 0.971 1734 D HN 0.203 nan 8.370 nan 0.000 0.453 1735 F N 1.611 121.425 119.950 -0.225 0.000 2.095 1735 F HA -0.230 4.306 4.527 0.014 0.000 0.298 1735 F C 2.167 177.749 175.800 -0.362 0.000 1.104 1735 F CA 1.929 59.744 58.000 -0.309 0.000 1.232 1735 F CB -0.191 38.543 39.000 -0.442 0.000 0.987 1735 F HN -0.055 nan 8.300 nan 0.000 0.475 1736 A N 0.411 123.014 122.820 -0.361 0.000 1.908 1736 A HA -0.223 4.106 4.320 0.015 0.000 0.218 1736 A C 2.309 179.764 177.584 -0.215 0.000 1.181 1736 A CA 1.888 53.733 52.037 -0.322 0.000 0.627 1736 A CB -0.863 18.036 19.000 -0.169 0.000 0.818 1736 A HN 0.504 nan 8.150 nan 0.000 0.445 1737 R N -0.114 120.300 120.500 -0.143 0.000 2.073 1737 R HA -0.107 4.242 4.340 0.015 0.000 0.229 1737 R C 2.138 178.392 176.300 -0.077 0.000 1.120 1737 R CA 1.573 57.627 56.100 -0.078 0.000 0.967 1737 R CB -0.197 30.078 30.300 -0.042 0.000 0.862 1737 R HN 0.716 nan 8.270 nan 0.000 0.436 1738 E N -0.563 119.566 120.200 -0.118 0.000 2.015 1738 E HA -0.144 4.215 4.350 0.015 0.000 0.191 1738 E C 1.945 178.499 176.600 -0.077 0.000 0.991 1738 E CA 1.737 58.086 56.400 -0.084 0.000 0.802 1738 E CB -0.420 29.233 29.700 -0.078 0.000 0.759 1738 E HN 0.289 nan 8.360 nan 0.000 0.447 1739 T N 1.097 115.489 114.554 -0.270 0.000 2.685 1739 T HA -0.206 4.154 4.350 0.015 0.000 0.268 1739 T C 1.942 176.729 174.700 0.144 0.000 1.034 1739 T CA 1.631 63.605 62.100 -0.209 0.000 1.149 1739 T CB -0.751 67.649 68.868 -0.780 0.000 0.860 1739 T HN 0.452 nan 8.240 nan 0.000 0.449 1740 G N 0.960 109.799 108.800 0.064 0.000 2.433 1740 G HA2 -0.010 3.960 3.960 0.015 0.000 0.216 1740 G HA3 -0.010 3.960 3.960 0.015 0.000 0.216 1740 G C 1.867 176.904 174.900 0.230 0.000 1.186 1740 G CA 0.955 46.186 45.100 0.217 0.000 0.779 1740 G HN 0.600 nan 8.290 nan 0.000 0.543 1741 A N 0.727 123.608 122.820 0.101 0.000 1.865 1741 A HA -0.012 4.317 4.320 0.015 0.000 0.217 1741 A C 2.443 180.040 177.584 0.022 0.000 1.191 1741 A CA 1.549 53.619 52.037 0.056 0.000 0.623 1741 A CB -0.467 18.543 19.000 0.018 0.000 0.826 1741 A HN 0.367 nan 8.150 nan 0.000 0.444 1742 I N -0.542 120.041 120.570 0.021 0.000 2.252 1742 I HA -0.160 4.020 4.170 0.015 0.000 0.245 1742 I C 2.669 178.664 176.117 -0.203 0.000 1.102 1742 I CA 1.020 62.276 61.300 -0.072 0.000 1.385 1742 I CB -0.484 37.507 38.000 -0.014 0.000 1.064 1742 I HN 0.415 nan 8.210 nan 0.000 0.414 1743 G N -0.229 108.559 108.800 -0.021 0.000 2.433 1743 G HA2 -0.330 3.640 3.960 0.015 0.000 0.216 1743 G HA3 -0.330 3.640 3.960 0.015 0.000 0.216 1743 G C 1.524 176.036 174.900 -0.646 0.000 1.186 1743 G CA 0.713 45.629 45.100 -0.307 0.000 0.779 1743 G HN 0.259 nan 8.290 nan 0.000 0.543 1744 Q N 0.470 120.109 119.800 -0.268 0.000 2.112 1744 Q HA -0.137 4.212 4.340 0.015 0.000 0.206 1744 Q C 2.326 178.182 176.000 -0.240 0.000 0.987 1744 Q CA 2.217 57.901 55.803 -0.199 0.000 0.858 1744 Q CB -0.375 28.447 28.738 0.139 0.000 0.905 1744 Q HN 0.717 nan 8.270 nan 0.000 0.420 1745 E N -0.497 119.586 120.200 -0.196 0.000 2.047 1745 E HA -0.226 4.133 4.350 0.015 0.000 0.191 1745 E C 1.996 178.449 176.600 -0.244 0.000 0.987 1745 E CA 0.892 57.186 56.400 -0.178 0.000 0.799 1745 E CB -0.046 29.569 29.700 -0.142 0.000 0.752 1745 E HN 0.326 nan 8.360 nan 0.000 0.449 1746 R N 0.137 120.430 120.500 -0.346 0.000 2.083 1746 R HA -0.137 4.212 4.340 0.015 0.000 0.237 1746 R C 2.530 178.630 176.300 -0.334 0.000 1.137 1746 R CA 1.565 57.443 56.100 -0.370 0.000 0.951 1746 R CB -0.420 29.564 30.300 -0.527 0.000 0.851 1746 R HN 0.143 nan 8.270 nan 0.000 0.434 1747 V N 1.675 121.319 119.914 -0.450 0.000 2.332 1747 V HA -0.260 3.869 4.120 0.015 0.000 0.248 1747 V C 1.687 177.649 176.094 -0.220 0.000 1.055 1747 V CA 1.952 64.013 62.300 -0.397 0.000 1.038 1747 V CB -0.484 30.916 31.823 -0.704 0.000 0.651 1747 V HN 0.282 nan 8.190 nan 0.000 0.450 1748 D N 0.351 120.633 120.400 -0.195 0.000 2.092 1748 D HA -0.158 4.491 4.640 0.015 0.000 0.193 1748 D C 2.058 178.312 176.300 -0.077 0.000 0.994 1748 D CA 1.445 55.382 54.000 -0.105 0.000 0.828 1748 D CB -0.491 40.258 40.800 -0.085 0.000 0.963 1748 D HN 0.404 nan 8.370 nan 0.000 0.450 1749 N N 0.408 119.050 118.700 -0.096 0.000 2.069 1749 N HA -0.119 4.630 4.740 0.015 0.000 0.191 1749 N C 2.087 177.596 175.510 -0.001 0.000 1.031 1749 N CA 0.622 53.634 53.050 -0.063 0.000 0.852 1749 N CB -0.633 37.794 38.487 -0.100 0.000 1.018 1749 N HN 0.115 nan 8.380 nan 0.000 0.423 1750 V N 2.009 121.912 119.914 -0.017 0.000 2.427 1750 V HA -0.152 3.977 4.120 0.015 0.000 0.248 1750 V C 2.045 178.163 176.094 0.040 0.000 1.051 1750 V CA 1.249 63.579 62.300 0.050 0.000 1.048 1750 V CB -0.488 31.333 31.823 -0.004 0.000 0.666 1750 V HN 0.322 nan 8.190 nan 0.000 0.456 1751 N N 0.538 119.234 118.700 -0.006 0.000 2.120 1751 N HA -0.136 4.613 4.740 0.015 0.000 0.188 1751 N C 1.951 177.467 175.510 0.009 0.000 1.024 1751 N CA 1.693 54.739 53.050 -0.005 0.000 0.852 1751 N CB -0.262 38.217 38.487 -0.014 0.000 1.003 1751 N HN 0.501 nan 8.380 nan 0.000 0.424 1752 A N 1.005 123.839 122.820 0.024 0.000 1.902 1752 A HA -0.144 4.185 4.320 0.015 0.000 0.217 1752 A C 2.033 179.677 177.584 0.100 0.000 1.181 1752 A CA 0.871 52.931 52.037 0.038 0.000 0.623 1752 A CB -0.866 18.146 19.000 0.020 0.000 0.818 1752 A HN 0.268 nan 8.150 nan 0.000 0.443 1753 F N 0.756 120.662 119.950 -0.073 0.000 2.126 1753 F HA -0.144 4.395 4.527 0.020 0.000 0.299 1753 F C 1.917 177.660 175.800 -0.094 0.000 1.096 1753 F CA 1.208 59.155 58.000 -0.089 0.000 1.255 1753 F CB -0.605 38.344 39.000 -0.085 0.000 0.997 1753 F HN 0.188 nan 8.300 nan 0.000 0.479 1754 I N -0.013 120.492 120.570 -0.109 0.000 2.315 1754 I HA -0.230 3.949 4.170 0.015 0.000 0.248 1754 I C 2.312 178.334 176.117 -0.157 0.000 1.117 1754 I CA 1.078 62.241 61.300 -0.229 0.000 1.404 1754 I CB -0.401 37.512 38.000 -0.145 0.000 1.071 1754 I HN 0.028 nan 8.210 nan 0.000 0.419 1755 E N 0.720 120.877 120.200 -0.071 0.000 2.072 1755 E HA -0.166 4.193 4.350 0.015 0.000 0.191 1755 E C 2.271 178.844 176.600 -0.045 0.000 0.985 1755 E CA 0.935 57.304 56.400 -0.052 0.000 0.801 1755 E CB -0.264 29.421 29.700 -0.024 0.000 0.750 1755 E HN 0.444 nan 8.360 nan 0.000 0.452 1756 R N 0.340 120.830 120.500 -0.016 0.000 2.091 1756 R HA -0.090 4.259 4.340 0.015 0.000 0.238 1756 R C 2.576 178.851 176.300 -0.043 0.000 1.136 1756 R CA 0.978 57.078 56.100 -0.001 0.000 0.959 1756 R CB -0.314 30.023 30.300 0.061 0.000 0.856 1756 R HN 0.176 nan 8.270 nan 0.000 0.437 1757 L N 0.082 121.230 121.223 -0.125 0.000 2.005 1757 L HA -0.175 4.174 4.340 0.015 0.000 0.207 1757 L C 2.418 179.232 176.870 -0.094 0.000 1.072 1757 L CA 1.304 56.043 54.840 -0.167 0.000 0.744 1757 L CB -0.415 41.403 42.059 -0.402 0.000 0.895 1757 L HN 0.191 nan 8.230 nan 0.000 0.433 1758 I N 0.026 120.522 120.570 -0.124 0.000 2.179 1758 I HA -0.313 3.866 4.170 0.015 0.000 0.242 1758 I C 2.113 178.210 176.117 -0.034 0.000 1.088 1758 I CA 1.346 62.598 61.300 -0.079 0.000 1.357 1758 I CB -0.360 37.586 38.000 -0.091 0.000 1.051 1758 I HN 0.286 nan 8.210 nan 0.000 0.409 1759 D N 0.902 121.283 120.400 -0.031 0.000 2.219 1759 D HA -0.101 4.549 4.640 0.015 0.000 0.205 1759 D C 2.098 178.397 176.300 -0.000 0.000 0.970 1759 D CA 1.350 55.341 54.000 -0.014 0.000 0.851 1759 D CB -0.053 40.740 40.800 -0.013 0.000 0.943 1759 D HN 0.364 nan 8.370 nan 0.000 0.488 1760 A N 0.178 123.002 122.820 0.007 0.000 2.167 1760 A HA 0.389 4.718 4.320 0.015 0.000 0.214 1760 A C 1.213 178.817 177.584 0.033 0.000 1.151 1760 A CA 0.985 53.036 52.037 0.024 0.000 0.735 1760 A CB -0.148 18.873 19.000 0.036 0.000 0.802 1760 A HN 0.248 nan 8.150 nan 0.000 0.467 1761 G N -0.575 108.246 108.800 0.035 0.000 3.405 1761 G HA2 -0.031 3.938 3.960 0.015 0.000 0.676 1761 G HA3 -0.031 3.938 3.960 0.015 0.000 0.676 1761 G C -0.689 174.247 174.900 0.060 0.000 1.039 1761 G CA 0.065 45.185 45.100 0.032 0.000 0.855 1761 G HN 0.994 nan 8.290 nan 0.000 0.443 1762 H N 2.555 121.593 119.070 -0.053 0.000 2.924 1762 H HA 0.515 5.079 4.556 0.013 0.000 0.333 1762 H C 1.491 176.768 175.328 -0.084 0.000 0.979 1762 H CA 0.287 56.298 56.048 -0.062 0.000 1.326 1762 H CB 1.594 31.305 29.762 -0.084 0.000 1.600 1762 H HN 0.901 nan 8.280 nan 0.000 0.520 1763 S N 3.200 118.768 115.700 -0.219 0.000 2.461 1763 S HA -0.173 4.306 4.470 0.015 0.000 0.249 1763 S C 0.528 175.130 174.600 0.003 0.000 1.012 1763 S CA 1.541 59.672 58.200 -0.115 0.000 0.982 1763 S CB 0.051 63.141 63.200 -0.185 0.000 0.764 1763 S HN 0.659 nan 8.310 nan 0.000 0.506 1764 E N 0.155 120.503 120.200 0.247 0.000 2.651 1764 E HA 0.473 4.832 4.350 0.015 0.000 0.208 1764 E C 1.582 178.104 176.600 -0.131 0.000 0.997 1764 E CA 0.493 56.912 56.400 0.033 0.000 1.020 1764 E CB 0.277 29.978 29.700 0.002 0.000 1.052 1764 E HN 0.559 nan 8.360 nan 0.000 0.465 1765 A N 1.514 124.294 122.820 -0.067 0.000 1.917 1765 A HA -0.224 4.105 4.320 0.015 0.000 0.219 1765 A C 2.370 179.839 177.584 -0.192 0.000 1.182 1765 A CA 2.118 54.063 52.037 -0.154 0.000 0.633 1765 A CB -0.403 18.549 19.000 -0.079 0.000 0.819 1765 A HN 0.310 nan 8.150 nan 0.000 0.448 1766 A N -0.985 121.742 122.820 -0.156 0.000 1.883 1766 A HA -0.134 4.195 4.320 0.015 0.000 0.217 1766 A C 2.349 179.797 177.584 -0.227 0.000 1.186 1766 A CA 2.520 54.465 52.037 -0.152 0.000 0.624 1766 A CB -1.388 17.544 19.000 -0.113 0.000 0.822 1766 A HN 0.487 nan 8.150 nan 0.000 0.444 1767 T N 0.285 114.644 114.554 -0.324 0.000 2.737 1767 T HA -0.087 4.272 4.350 0.015 0.000 0.265 1767 T C 1.841 176.056 174.700 -0.808 0.000 1.038 1767 T CA 1.460 63.246 62.100 -0.523 0.000 1.144 1767 T CB -0.464 68.047 68.868 -0.595 0.000 0.866 1767 T HN 0.397 nan 8.240 nan 0.000 0.434 1768 I N 1.644 121.748 120.570 -0.777 0.000 2.151 1768 I HA -0.262 3.917 4.170 0.015 0.000 0.243 1768 I C 2.981 178.913 176.117 -0.307 0.000 1.080 1768 I CA 1.354 62.253 61.300 -0.668 0.000 1.339 1768 I CB -0.556 37.123 38.000 -0.534 0.000 1.039 1768 I HN 0.219 nan 8.210 nan 0.000 0.409 1769 A N 0.241 122.922 122.820 -0.231 0.000 1.908 1769 A HA -0.318 4.011 4.320 0.015 0.000 0.218 1769 A C 2.254 179.806 177.584 -0.054 0.000 1.181 1769 A CA 2.233 54.204 52.037 -0.111 0.000 0.627 1769 A CB -0.776 18.166 19.000 -0.097 0.000 0.818 1769 A HN 0.540 nan 8.150 nan 0.000 0.445 1770 E N -1.081 119.066 120.200 -0.089 0.000 2.049 1770 E HA -0.260 4.099 4.350 0.015 0.000 0.198 1770 E C 1.775 178.467 176.600 0.153 0.000 1.007 1770 E CA 1.835 58.237 56.400 0.003 0.000 0.809 1770 E CB -0.284 29.395 29.700 -0.034 0.000 0.749 1770 E HN 0.727 nan 8.360 nan 0.000 0.450 1771 W N 1.343 122.617 121.300 -0.042 0.000 2.321 1771 W HA -0.169 4.491 4.660 -0.001 0.000 0.306 1771 W C 2.364 178.863 176.519 -0.032 0.000 1.217 1771 W CA 1.182 58.504 57.345 -0.039 0.000 1.257 1771 W CB -1.043 28.377 29.460 -0.066 0.000 1.145 1771 W HN 0.207 nan 8.180 nan 0.000 0.509 1772 K N 0.283 120.796 120.400 0.188 0.000 2.026 1772 K HA -0.188 4.141 4.320 0.015 0.000 0.208 1772 K C 1.568 178.221 176.600 0.088 0.000 1.048 1772 K CA 1.934 58.279 56.287 0.097 0.000 0.929 1772 K CB -0.325 32.197 32.500 0.037 0.000 0.713 1772 K HN -0.069 nan 8.250 nan 0.000 0.439 1773 D N -0.234 120.215 120.400 0.081 0.000 2.092 1773 D HA -0.136 4.513 4.640 0.015 0.000 0.193 1773 D C 1.869 178.222 176.300 0.089 0.000 0.994 1773 D CA 1.536 55.579 54.000 0.073 0.000 0.828 1773 D CB -0.621 40.212 40.800 0.056 0.000 0.963 1773 D HN 0.466 nan 8.370 nan 0.000 0.450 1774 G N 1.118 109.981 108.800 0.104 0.000 2.440 1774 G HA2 -0.238 3.731 3.960 0.015 0.000 0.218 1774 G HA3 -0.238 3.731 3.960 0.015 0.000 0.218 1774 G C 1.653 176.611 174.900 0.097 0.000 1.154 1774 G CA 0.913 46.071 45.100 0.096 0.000 0.767 1774 G HN 0.254 nan 8.290 nan 0.000 0.552 1775 L N 1.181 122.462 121.223 0.097 0.000 1.976 1775 L HA -0.030 4.319 4.340 0.015 0.000 0.209 1775 L C 2.343 179.301 176.870 0.146 0.000 1.071 1775 L CA 2.142 57.040 54.840 0.097 0.000 0.746 1775 L CB -0.779 41.316 42.059 0.060 0.000 0.890 1775 L HN 0.115 nan 8.230 nan 0.000 0.432 1776 N N -0.008 118.774 118.700 0.136 0.000 2.149 1776 N HA -0.212 4.537 4.740 0.015 0.000 0.188 1776 N C 1.650 177.282 175.510 0.203 0.000 1.019 1776 N CA 1.823 54.987 53.050 0.190 0.000 0.857 1776 N CB -0.209 38.362 38.487 0.140 0.000 0.997 1776 N HN 0.618 nan 8.380 nan 0.000 0.426 1777 E N 0.732 121.015 120.200 0.139 0.000 2.047 1777 E HA -0.093 4.266 4.350 0.015 0.000 0.191 1777 E C 2.070 178.743 176.600 0.121 0.000 0.987 1777 E CA 0.745 57.209 56.400 0.106 0.000 0.799 1777 E CB -0.159 29.587 29.700 0.075 0.000 0.752 1777 E HN 0.363 nan 8.360 nan 0.000 0.449 1778 M N 0.206 119.895 119.600 0.148 0.000 2.108 1778 M HA -0.191 4.298 4.480 0.015 0.000 0.261 1778 M C 2.250 178.689 176.300 0.231 0.000 1.066 1778 M CA 1.577 56.972 55.300 0.160 0.000 1.107 1778 M CB -0.416 32.282 32.600 0.163 0.000 1.356 1778 M HN 0.378 nan 8.290 nan 0.000 0.406 1779 W N 1.044 122.379 121.300 0.060 0.000 2.332 1779 W HA -0.262 4.405 4.660 0.012 0.000 0.321 1779 W C 2.345 178.896 176.519 0.054 0.000 1.219 1779 W CA 1.556 58.943 57.345 0.069 0.000 1.277 1779 W CB -0.243 29.257 29.460 0.066 0.000 1.161 1779 W HN 0.239 nan 8.180 nan 0.000 0.476 1780 A N 0.933 123.720 122.820 -0.056 0.000 1.917 1780 A HA -0.290 4.039 4.320 0.015 0.000 0.219 1780 A C 1.582 179.069 177.584 -0.161 0.000 1.182 1780 A CA 2.356 54.283 52.037 -0.184 0.000 0.633 1780 A CB -1.163 17.811 19.000 -0.043 0.000 0.819 1780 A HN 0.356 nan 8.150 nan 0.000 0.448 1781 D N -0.485 119.878 120.400 -0.063 0.000 2.117 1781 D HA -0.135 4.515 4.640 0.015 0.000 0.197 1781 D C 1.867 178.123 176.300 -0.074 0.000 0.987 1781 D CA 1.433 55.406 54.000 -0.045 0.000 0.829 1781 D CB -0.524 40.278 40.800 0.003 0.000 0.961 1781 D HN 0.396 nan 8.370 nan 0.000 0.460 1782 L N 0.718 121.891 121.223 -0.084 0.000 2.046 1782 L HA -0.114 4.235 4.340 0.015 0.000 0.208 1782 L C 2.167 178.919 176.870 -0.197 0.000 1.077 1782 L CA 1.350 56.136 54.840 -0.090 0.000 0.747 1782 L CB -0.528 41.526 42.059 -0.009 0.000 0.896 1782 L HN 0.002 nan 8.230 nan 0.000 0.432 1783 L N -0.538 120.436 121.223 -0.414 0.000 2.012 1783 L HA -0.249 4.100 4.340 0.015 0.000 0.210 1783 L C 2.650 179.417 176.870 -0.171 0.000 1.073 1783 L CA 1.891 56.499 54.840 -0.387 0.000 0.748 1783 L CB -0.670 41.062 42.059 -0.545 0.000 0.891 1783 L HN 0.457 nan 8.230 nan 0.000 0.431 1784 E N 0.471 120.587 120.200 -0.139 0.000 2.051 1784 E HA -0.232 4.127 4.350 0.015 0.000 0.192 1784 E C 2.410 178.991 176.600 -0.032 0.000 0.991 1784 E CA 1.067 57.424 56.400 -0.072 0.000 0.799 1784 E CB -0.036 29.626 29.700 -0.063 0.000 0.748 1784 E HN 0.423 nan 8.360 nan 0.000 0.449 1785 L N 0.620 121.828 121.223 -0.024 0.000 2.079 1785 L HA -0.232 4.118 4.340 0.015 0.000 0.210 1785 L C 2.489 179.400 176.870 0.069 0.000 1.081 1785 L CA 1.015 55.862 54.840 0.012 0.000 0.752 1785 L CB -0.283 41.787 42.059 0.019 0.000 0.896 1785 L HN 0.264 nan 8.230 nan 0.000 0.433 1786 I N -0.438 120.197 120.570 0.108 0.000 2.252 1786 I HA -0.289 3.890 4.170 0.015 0.000 0.245 1786 I C 2.180 178.447 176.117 0.249 0.000 1.102 1786 I CA 1.422 62.896 61.300 0.289 0.000 1.385 1786 I CB -0.245 37.877 38.000 0.203 0.000 1.064 1786 I HN 0.284 nan 8.210 nan 0.000 0.414 1787 D N 0.618 121.077 120.400 0.099 0.000 2.097 1787 D HA -0.210 4.439 4.640 0.015 0.000 0.195 1787 D C 2.175 178.491 176.300 0.028 0.000 0.989 1787 D CA 2.172 56.210 54.000 0.064 0.000 0.827 1787 D CB 0.060 40.865 40.800 0.009 0.000 0.966 1787 D HN 0.353 nan 8.370 nan 0.000 0.456 1788 T N -2.067 112.485 114.554 -0.002 0.000 2.867 1788 T HA -0.154 4.205 4.350 0.015 0.000 0.268 1788 T C 2.033 176.680 174.700 -0.089 0.000 1.057 1788 T CA 1.106 63.182 62.100 -0.039 0.000 1.136 1788 T CB -0.334 68.509 68.868 -0.042 0.000 0.874 1788 T HN 0.020 nan 8.240 nan 0.000 0.466 1789 R N 0.809 121.233 120.500 -0.127 0.000 2.096 1789 R HA 0.174 4.523 4.340 0.015 0.000 0.235 1789 R C 2.408 178.448 176.300 -0.435 0.000 1.127 1789 R CA 1.408 57.298 56.100 -0.349 0.000 0.968 1789 R CB -0.815 29.148 30.300 -0.563 0.000 0.861 1789 R HN 0.503 nan 8.270 nan 0.000 0.440 1790 M N 0.072 119.540 119.600 -0.219 0.000 2.067 1790 M HA -0.203 4.286 4.480 0.015 0.000 0.260 1790 M C 2.117 178.376 176.300 -0.069 0.000 1.069 1790 M CA 1.922 57.175 55.300 -0.078 0.000 1.117 1790 M CB -0.048 32.627 32.600 0.125 0.000 1.334 1790 M HN 0.240 nan 8.290 nan 0.000 0.407 1791 Q N -0.291 119.480 119.800 -0.049 0.000 2.096 1791 Q HA -0.235 4.114 4.340 0.015 0.000 0.204 1791 Q C 2.015 177.985 176.000 -0.049 0.000 0.982 1791 Q CA 1.500 57.280 55.803 -0.037 0.000 0.850 1791 Q CB -0.480 28.238 28.738 -0.035 0.000 0.901 1791 Q HN 0.426 nan 8.270 nan 0.000 0.422 1792 L N 0.836 122.007 121.223 -0.086 0.000 1.989 1792 L HA -0.186 4.163 4.340 0.015 0.000 0.211 1792 L C 1.962 178.798 176.870 -0.056 0.000 1.071 1792 L CA 1.738 56.529 54.840 -0.083 0.000 0.749 1792 L CB -0.625 41.362 42.059 -0.120 0.000 0.890 1792 L HN 0.201 nan 8.230 nan 0.000 0.431 1793 L N -0.752 120.411 121.223 -0.101 0.000 2.141 1793 L HA -0.132 4.217 4.340 0.015 0.000 0.209 1793 L C 2.631 179.534 176.870 0.055 0.000 1.094 1793 L CA 1.005 55.818 54.840 -0.044 0.000 0.763 1793 L CB -0.885 41.103 42.059 -0.119 0.000 0.908 1793 L HN 0.377 nan 8.230 nan 0.000 0.437 1794 A N 0.147 122.985 122.820 0.031 0.000 1.933 1794 A HA -0.161 4.168 4.320 0.015 0.000 0.218 1794 A C 2.553 180.235 177.584 0.163 0.000 1.175 1794 A CA 1.687 53.776 52.037 0.087 0.000 0.628 1794 A CB -0.623 18.396 19.000 0.033 0.000 0.814 1794 A HN 0.391 nan 8.150 nan 0.000 0.444 1795 A N -0.725 122.156 122.820 0.101 0.000 1.858 1795 A HA -0.132 4.197 4.320 0.015 0.000 0.216 1795 A C 2.497 180.181 177.584 0.166 0.000 1.190 1795 A CA 2.232 54.336 52.037 0.111 0.000 0.617 1795 A CB -1.182 17.847 19.000 0.048 0.000 0.827 1795 A HN 0.595 nan 8.150 nan 0.000 0.443 1796 S N -1.932 113.863 115.700 0.158 0.000 2.374 1796 S HA -0.251 4.228 4.470 0.015 0.000 0.227 1796 S C 1.865 176.636 174.600 0.286 0.000 1.037 1796 S CA 1.899 60.212 58.200 0.188 0.000 1.024 1796 S CB -0.603 62.713 63.200 0.192 0.000 0.861 1796 S HN 0.633 nan 8.310 nan 0.000 0.456 1797 Y N 2.149 122.561 120.300 0.187 0.000 2.128 1797 Y HA -0.183 4.376 4.550 0.015 0.000 0.284 1797 Y C 1.924 177.975 175.900 0.252 0.000 1.154 1797 Y CA 2.379 60.630 58.100 0.252 0.000 1.149 1797 Y CB -0.639 37.923 38.460 0.170 0.000 0.976 1797 Y HN 0.313 nan 8.280 nan 0.000 0.505 1798 D N -0.135 120.399 120.400 0.223 0.000 2.117 1798 D HA -0.170 4.479 4.640 0.015 0.000 0.197 1798 D C 2.112 178.395 176.300 -0.028 0.000 0.987 1798 D CA 1.236 55.281 54.000 0.075 0.000 0.829 1798 D CB -0.602 40.249 40.800 0.085 0.000 0.961 1798 D HN 0.356 nan 8.370 nan 0.000 0.460 1799 L N 0.373 121.587 121.223 -0.015 0.000 1.989 1799 L HA -0.180 4.169 4.340 0.015 0.000 0.211 1799 L C 1.968 178.830 176.870 -0.014 0.000 1.071 1799 L CA 1.991 56.766 54.840 -0.108 0.000 0.749 1799 L CB -0.708 41.273 42.059 -0.129 0.000 0.890 1799 L HN 0.130 nan 8.230 nan 0.000 0.431 1800 H N -1.418 117.719 119.070 0.111 0.000 2.353 1800 H HA -0.122 4.443 4.556 0.015 0.000 0.300 1800 H C 2.360 177.540 175.328 -0.247 0.000 1.090 1800 H CA 1.607 57.721 56.048 0.108 0.000 1.327 1800 H CB -0.038 29.864 29.762 0.234 0.000 1.383 1800 H HN 0.246 nan 8.280 nan 0.000 0.508 1801 R N -0.035 120.231 120.500 -0.391 0.000 2.105 1801 R HA -0.229 4.120 4.340 0.015 0.000 0.239 1801 R C 1.987 178.100 176.300 -0.311 0.000 1.135 1801 R CA 1.694 57.331 56.100 -0.772 0.000 0.967 1801 R CB -0.333 29.684 30.300 -0.471 0.000 0.861 1801 R HN 0.418 nan 8.270 nan 0.000 0.442 1802 Y N 0.121 120.236 120.300 -0.309 0.000 2.109 1802 Y HA -0.203 4.356 4.550 0.015 0.000 0.285 1802 Y C 1.700 177.477 175.900 -0.205 0.000 1.131 1802 Y CA 1.808 59.716 58.100 -0.321 0.000 1.121 1802 Y CB -0.570 37.566 38.460 -0.539 0.000 0.987 1802 Y HN -0.035 nan 8.280 nan 0.000 0.495 1803 F N -0.926 118.992 119.950 -0.053 0.000 2.216 1803 F HA -0.208 4.328 4.527 0.015 0.000 0.300 1803 F C 2.339 178.073 175.800 -0.110 0.000 1.085 1803 F CA 1.720 59.655 58.000 -0.109 0.000 1.326 1803 F CB -1.308 37.695 39.000 0.004 0.000 1.027 1803 F HN 0.230 nan 8.300 nan 0.000 0.497 1804 Y N 0.721 120.955 120.300 -0.111 0.000 2.181 1804 Y HA -0.241 4.318 4.550 0.015 0.000 0.288 1804 Y C 2.460 178.251 175.900 -0.182 0.000 1.146 1804 Y CA 2.169 60.150 58.100 -0.199 0.000 1.164 1804 Y CB -0.790 37.353 38.460 -0.528 0.000 0.982 1804 Y HN -0.051 nan 8.280 nan 0.000 0.515 1805 T N -0.036 114.464 114.554 -0.092 0.000 2.708 1805 T HA -0.126 4.233 4.350 0.015 0.000 0.266 1805 T C 2.015 176.562 174.700 -0.255 0.000 1.037 1805 T CA 1.427 63.464 62.100 -0.105 0.000 1.146 1805 T CB -1.081 67.833 68.868 0.078 0.000 0.865 1805 T HN 0.607 nan 8.240 nan 0.000 0.435 1806 G N 1.364 110.025 108.800 -0.232 0.000 2.491 1806 G HA2 -0.148 3.821 3.960 0.015 0.000 0.218 1806 G HA3 -0.148 3.821 3.960 0.015 0.000 0.218 1806 G C 1.863 176.523 174.900 -0.400 0.000 1.180 1806 G CA 1.076 45.851 45.100 -0.541 0.000 0.774 1806 G HN 0.582 nan 8.290 nan 0.000 0.562 1807 A N 0.537 123.199 122.820 -0.264 0.000 1.908 1807 A HA -0.070 4.259 4.320 0.015 0.000 0.218 1807 A C 2.189 179.605 177.584 -0.280 0.000 1.181 1807 A CA 2.333 54.233 52.037 -0.229 0.000 0.627 1807 A CB -0.462 18.432 19.000 -0.177 0.000 0.818 1807 A HN 0.416 nan 8.150 nan 0.000 0.445 1808 E N 0.028 119.999 120.200 -0.382 0.000 2.031 1808 E HA -0.145 4.214 4.350 0.015 0.000 0.193 1808 E C 1.745 178.192 176.600 -0.256 0.000 0.994 1808 E CA 1.438 57.632 56.400 -0.343 0.000 0.800 1808 E CB -0.349 29.108 29.700 -0.406 0.000 0.752 1808 E HN 0.630 nan 8.360 nan 0.000 0.447 1809 I N 0.103 120.488 120.570 -0.309 0.000 2.208 1809 I HA -0.298 3.881 4.170 0.015 0.000 0.245 1809 I C 2.198 178.173 176.117 -0.237 0.000 1.097 1809 I CA 0.944 62.060 61.300 -0.307 0.000 1.363 1809 I CB -0.182 37.526 38.000 -0.487 0.000 1.051 1809 I HN 0.177 nan 8.210 nan 0.000 0.413 1810 L N 0.040 121.117 121.223 -0.243 0.000 2.083 1810 L HA -0.154 4.195 4.340 0.015 0.000 0.209 1810 L C 2.587 179.396 176.870 -0.101 0.000 1.083 1810 L CA 1.463 56.210 54.840 -0.156 0.000 0.752 1810 L CB -1.010 40.961 42.059 -0.147 0.000 0.899 1810 L HN 0.336 nan 8.230 nan 0.000 0.433 1811 G N -0.262 108.469 108.800 -0.115 0.000 2.402 1811 G HA2 -0.213 3.756 3.960 0.015 0.000 0.216 1811 G HA3 -0.213 3.756 3.960 0.015 0.000 0.216 1811 G C 1.502 176.370 174.900 -0.054 0.000 1.162 1811 G CA 0.296 45.348 45.100 -0.079 0.000 0.777 1811 G HN 0.113 nan 8.290 nan 0.000 0.539 1812 L N 0.531 121.712 121.223 -0.071 0.000 2.083 1812 L HA 0.092 4.441 4.340 0.015 0.000 0.209 1812 L C 2.775 179.641 176.870 -0.007 0.000 1.083 1812 L CA 1.049 55.862 54.840 -0.044 0.000 0.752 1812 L CB -0.423 41.594 42.059 -0.069 0.000 0.899 1812 L HN 0.206 nan 8.230 nan 0.000 0.433 1813 I N -0.898 119.671 120.570 -0.002 0.000 2.226 1813 I HA -0.297 3.882 4.170 0.015 0.000 0.245 1813 I C 2.171 178.347 176.117 0.097 0.000 1.100 1813 I CA 1.382 62.724 61.300 0.070 0.000 1.374 1813 I CB -0.261 37.791 38.000 0.087 0.000 1.057 1813 I HN 0.263 nan 8.210 nan 0.000 0.413 1814 D N 0.746 121.177 120.400 0.051 0.000 2.104 1814 D HA -0.266 4.383 4.640 0.015 0.000 0.194 1814 D C 2.113 178.463 176.300 0.084 0.000 0.994 1814 D CA 1.413 55.446 54.000 0.055 0.000 0.830 1814 D CB -0.000 40.799 40.800 -0.001 0.000 0.959 1814 D HN 0.266 nan 8.370 nan 0.000 0.452 1815 E N -0.521 119.712 120.200 0.054 0.000 2.118 1815 E HA -0.221 4.138 4.350 0.015 0.000 0.195 1815 E C 1.758 178.416 176.600 0.097 0.000 0.992 1815 E CA 0.948 57.384 56.400 0.059 0.000 0.804 1815 E CB 0.193 29.913 29.700 0.033 0.000 0.741 1815 E HN 0.048 nan 8.360 nan 0.000 0.458 1816 K N -0.015 120.445 120.400 0.100 0.000 2.057 1816 K HA -0.140 4.189 4.320 0.015 0.000 0.206 1816 K C 2.160 178.876 176.600 0.195 0.000 1.050 1816 K CA 0.992 57.357 56.287 0.130 0.000 0.935 1816 K CB -0.594 31.923 32.500 0.029 0.000 0.715 1816 K HN 0.343 nan 8.250 nan 0.000 0.439 1817 H N 1.335 120.461 119.070 0.092 0.000 2.293 1817 H HA 0.015 4.581 4.556 0.015 0.000 0.300 1817 H C 1.981 177.347 175.328 0.064 0.000 1.082 1817 H CA 1.545 57.638 56.048 0.075 0.000 1.308 1817 H CB 0.285 30.069 29.762 0.036 0.000 1.375 1817 H HN 0.084 nan 8.280 nan 0.000 0.495 1818 R N 0.814 121.450 120.500 0.227 0.000 2.200 1818 R HA -0.078 4.271 4.340 0.015 0.000 0.234 1818 R C 1.123 177.484 176.300 0.102 0.000 1.127 1818 R CA 0.365 56.544 56.100 0.131 0.000 0.989 1818 R CB 0.004 30.352 30.300 0.080 0.000 0.869 1818 R HN 0.456 nan 8.270 nan 0.000 0.459 1842 E N 1.709 122.022 120.200 0.189 0.000 2.085 1842 E HA -0.203 4.156 4.350 0.015 0.000 0.194 1842 E C 1.960 178.576 176.600 0.028 0.000 0.994 1842 E CA 2.310 58.764 56.400 0.090 0.000 0.801 1842 E CB -0.242 29.527 29.700 0.115 0.000 0.743 1842 E HN 0.584 nan 8.360 nan 0.000 0.453 1843 R N 0.766 121.285 120.500 0.033 0.000 2.096 1843 R HA -0.107 4.242 4.340 0.015 0.000 0.235 1843 R C 1.336 177.654 176.300 0.031 0.000 1.127 1843 R CA 1.597 57.722 56.100 0.041 0.000 0.968 1843 R CB -0.380 29.939 30.300 0.031 0.000 0.861 1843 R HN 0.071 nan 8.270 nan 0.000 0.440 1844 D N 0.996 121.370 120.400 -0.044 0.000 2.117 1844 D HA -0.089 4.560 4.640 0.015 0.000 0.197 1844 D C 2.118 178.354 176.300 -0.106 0.000 0.987 1844 D CA 1.136 55.084 54.000 -0.087 0.000 0.829 1844 D CB -0.147 40.573 40.800 -0.132 0.000 0.961 1844 D HN 0.065 nan 8.370 nan 0.000 0.460 1845 V N 0.497 120.298 119.914 -0.188 0.000 2.427 1845 V HA -0.244 3.885 4.120 0.015 0.000 0.248 1845 V C 2.291 178.473 176.094 0.147 0.000 1.051 1845 V CA 1.716 63.977 62.300 -0.064 0.000 1.048 1845 V CB -0.459 31.240 31.823 -0.208 0.000 0.666 1845 V HN 0.258 nan 8.190 nan 0.000 0.456 1846 H N -0.127 118.965 119.070 0.036 0.000 2.321 1846 H HA -0.122 4.443 4.556 0.015 0.000 0.300 1846 H C 2.095 177.425 175.328 0.004 0.000 1.087 1846 H CA 1.985 58.072 56.048 0.065 0.000 1.319 1846 H CB -0.215 29.569 29.762 0.037 0.000 1.379 1846 H HN 0.310 nan 8.280 nan 0.000 0.501 1847 L N -0.504 120.721 121.223 0.003 0.000 2.079 1847 L HA -0.180 4.169 4.340 0.015 0.000 0.210 1847 L C 2.392 179.163 176.870 -0.166 0.000 1.081 1847 L CA 0.872 55.666 54.840 -0.077 0.000 0.752 1847 L CB -0.369 41.682 42.059 -0.013 0.000 0.896 1847 L HN 0.314 nan 8.230 nan 0.000 0.433 1848 L N -0.045 121.086 121.223 -0.153 0.000 2.056 1848 L HA -0.085 4.264 4.340 0.015 0.000 0.207 1848 L C 2.429 178.974 176.870 -0.540 0.000 1.078 1848 L CA 2.001 56.701 54.840 -0.234 0.000 0.749 1848 L CB -1.009 40.995 42.059 -0.091 0.000 0.901 1848 L HN 0.157 nan 8.230 nan 0.000 0.433 1849 G N -1.559 106.841 108.800 -0.667 0.000 2.432 1849 G HA2 -0.175 3.794 3.960 0.015 0.000 0.219 1849 G HA3 -0.175 3.794 3.960 0.015 0.000 0.219 1849 G C 1.496 176.014 174.900 -0.636 0.000 1.135 1849 G CA 1.010 45.465 45.100 -1.076 0.000 0.767 1849 G HN 0.327 nan 8.290 nan 0.000 0.550 1850 V N 0.415 120.054 119.914 -0.457 0.000 2.358 1850 V HA -0.204 3.925 4.120 0.015 0.000 0.246 1850 V C 2.823 178.765 176.094 -0.253 0.000 1.047 1850 V CA 1.937 64.048 62.300 -0.314 0.000 1.035 1850 V CB -0.570 31.101 31.823 -0.254 0.000 0.658 1850 V HN 0.415 nan 8.190 nan 0.000 0.452 1851 Q N -0.354 119.286 119.800 -0.267 0.000 2.167 1851 Q HA -0.132 4.218 4.340 0.015 0.000 0.202 1851 Q C 2.377 178.251 176.000 -0.209 0.000 0.970 1851 Q CA 1.528 57.215 55.803 -0.193 0.000 0.855 1851 Q CB -0.254 28.374 28.738 -0.183 0.000 0.911 1851 Q HN 0.563 nan 8.270 nan 0.000 0.438 1852 V N 1.062 120.738 119.914 -0.397 0.000 2.307 1852 V HA -0.294 3.836 4.120 0.015 0.000 0.245 1852 V C 2.372 178.337 176.094 -0.214 0.000 1.045 1852 V CA 2.076 64.130 62.300 -0.411 0.000 1.024 1852 V CB -0.670 30.628 31.823 -0.874 0.000 0.651 1852 V HN 0.355 nan 8.190 nan 0.000 0.449 1853 Q N 0.499 120.146 119.800 -0.255 0.000 2.112 1853 Q HA -0.283 4.066 4.340 0.015 0.000 0.206 1853 Q C 2.146 178.113 176.000 -0.055 0.000 0.987 1853 Q CA 2.256 57.984 55.803 -0.125 0.000 0.858 1853 Q CB -0.450 28.214 28.738 -0.123 0.000 0.905 1853 Q HN 0.685 nan 8.270 nan 0.000 0.420 1854 Q N -1.089 118.678 119.800 -0.055 0.000 2.084 1854 Q HA -0.140 4.209 4.340 0.015 0.000 0.202 1854 Q C 1.902 177.924 176.000 0.036 0.000 0.978 1854 Q CA 1.491 57.286 55.803 -0.014 0.000 0.844 1854 Q CB -0.257 28.471 28.738 -0.017 0.000 0.898 1854 Q HN 0.528 nan 8.270 nan 0.000 0.426 1855 F N 1.482 121.376 119.950 -0.095 0.000 2.234 1855 F HA -0.201 4.335 4.527 0.015 0.000 0.299 1855 F C 2.132 177.932 175.800 -0.001 0.000 1.087 1855 F CA 1.342 59.309 58.000 -0.054 0.000 1.340 1855 F CB 0.125 39.052 39.000 -0.123 0.000 1.031 1855 F HN 0.038 nan 8.300 nan 0.000 0.500 1856 Q N 0.065 119.943 119.800 0.131 0.000 2.084 1856 Q HA -0.212 4.137 4.340 0.015 0.000 0.202 1856 Q C 1.793 177.759 176.000 -0.058 0.000 0.978 1856 Q CA 1.734 57.567 55.803 0.049 0.000 0.844 1856 Q CB -0.253 28.517 28.738 0.054 0.000 0.898 1856 Q HN 0.412 nan 8.270 nan 0.000 0.426 1857 D N -0.128 120.237 120.400 -0.058 0.000 2.117 1857 D HA -0.125 4.524 4.640 0.015 0.000 0.197 1857 D C 1.980 178.203 176.300 -0.128 0.000 0.987 1857 D CA 0.893 54.849 54.000 -0.075 0.000 0.829 1857 D CB -0.160 40.609 40.800 -0.052 0.000 0.961 1857 D HN 0.053 nan 8.370 nan 0.000 0.460 1858 V N 1.608 121.419 119.914 -0.171 0.000 2.295 1858 V HA -0.248 3.881 4.120 0.015 0.000 0.246 1858 V C 2.587 178.443 176.094 -0.398 0.000 1.049 1858 V CA 1.825 63.979 62.300 -0.243 0.000 1.024 1858 V CB -0.840 30.853 31.823 -0.216 0.000 0.648 1858 V HN 0.185 nan 8.190 nan 0.000 0.447 1859 A N -0.447 122.108 122.820 -0.443 0.000 1.948 1859 A HA -0.266 4.063 4.320 0.015 0.000 0.220 1859 A C 2.385 179.780 177.584 -0.314 0.000 1.177 1859 A CA 2.681 54.418 52.037 -0.499 0.000 0.636 1859 A CB -0.968 17.888 19.000 -0.240 0.000 0.815 1859 A HN 0.525 nan 8.150 nan 0.000 0.449 1860 T N -0.739 113.699 114.554 -0.194 0.000 2.701 1860 T HA -0.148 4.211 4.350 0.015 0.000 0.263 1860 T C 2.071 176.691 174.700 -0.132 0.000 1.040 1860 T CA 1.529 63.553 62.100 -0.127 0.000 1.147 1860 T CB -0.269 68.550 68.868 -0.081 0.000 0.865 1860 T HN 0.673 nan 8.240 nan 0.000 0.426 1861 R N 0.905 121.319 120.500 -0.143 0.000 2.096 1861 R HA -0.078 4.271 4.340 0.015 0.000 0.240 1861 R C 2.337 178.565 176.300 -0.121 0.000 1.139 1861 R CA 1.473 57.503 56.100 -0.117 0.000 0.952 1861 R CB -0.585 29.649 30.300 -0.110 0.000 0.854 1861 R HN 0.361 nan 8.270 nan 0.000 0.436 1862 L N 0.396 121.496 121.223 -0.206 0.000 2.056 1862 L HA -0.168 4.181 4.340 0.015 0.000 0.207 1862 L C 2.804 179.648 176.870 -0.043 0.000 1.078 1862 L CA 1.536 56.274 54.840 -0.171 0.000 0.749 1862 L CB -0.555 41.217 42.059 -0.478 0.000 0.901 1862 L HN 0.378 nan 8.230 nan 0.000 0.433 1863 Q N -0.488 119.240 119.800 -0.121 0.000 2.152 1863 Q HA -0.232 4.117 4.340 0.015 0.000 0.206 1863 Q C 2.148 178.153 176.000 0.008 0.000 0.985 1863 Q CA 2.261 58.039 55.803 -0.042 0.000 0.863 1863 Q CB -0.184 28.516 28.738 -0.064 0.000 0.904 1863 Q HN 0.409 nan 8.270 nan 0.000 0.422 1864 T N -0.134 114.407 114.554 -0.022 0.000 2.778 1864 T HA -0.226 4.133 4.350 0.015 0.000 0.269 1864 T C 1.531 176.210 174.700 -0.034 0.000 1.050 1864 T CA 1.335 63.419 62.100 -0.027 0.000 1.137 1864 T CB -0.168 68.676 68.868 -0.041 0.000 0.860 1864 T HN 0.442 nan 8.240 nan 0.000 0.468 1865 A N -0.922 121.885 122.820 -0.021 0.000 2.044 1865 A HA 0.301 4.630 4.320 0.015 0.000 0.213 1865 A C 0.479 177.867 177.584 -0.326 0.000 1.169 1865 A CA 0.216 52.155 52.037 -0.164 0.000 0.724 1865 A CB -0.031 18.845 19.000 -0.207 0.000 0.840 1865 A HN 0.516 nan 8.150 nan 0.000 0.463 1866 Y N -1.442 118.815 120.300 -0.072 0.000 2.488 1866 Y HA 0.658 5.217 4.550 0.016 0.000 0.325 1866 Y C 0.523 176.400 175.900 -0.039 0.000 1.204 1866 Y CA -0.249 57.820 58.100 -0.052 0.000 1.229 1866 Y CB 1.423 39.851 38.460 -0.053 0.000 1.274 1866 Y HN 0.236 nan 8.280 nan 0.000 0.493 1867 A N 0.061 122.953 122.820 0.121 0.000 2.567 1867 A HA 0.763 5.092 4.320 0.015 0.000 0.289 1867 A C 0.237 177.863 177.584 0.071 0.000 1.177 1867 A CA -0.288 51.789 52.037 0.066 0.000 0.694 1867 A CB 0.542 19.555 19.000 0.022 0.000 1.292 1867 A HN 1.376 nan 8.150 nan 0.000 0.425 1868 G N 0.038 108.865 108.800 0.045 0.000 2.614 1868 G HA2 -0.328 3.641 3.960 0.015 0.000 0.303 1868 G HA3 -0.328 3.641 3.960 0.015 0.000 0.303 1868 G C 0.837 175.767 174.900 0.050 0.000 1.270 1868 G CA 1.382 46.506 45.100 0.040 0.000 0.988 1868 G HN 1.195 nan 8.290 nan 0.000 0.551 1869 E N -0.459 119.769 120.200 0.046 0.000 2.058 1869 E HA -0.101 4.258 4.350 0.015 0.000 0.194 1869 E C 2.663 179.294 176.600 0.052 0.000 0.997 1869 E CA 1.684 58.109 56.400 0.041 0.000 0.801 1869 E CB -0.105 29.613 29.700 0.030 0.000 0.746 1869 E HN 0.351 nan 8.360 nan 0.000 0.450 1870 K N -0.095 120.349 120.400 0.074 0.000 2.057 1870 K HA -0.100 4.229 4.320 0.015 0.000 0.207 1870 K C 2.042 178.668 176.600 0.044 0.000 1.049 1870 K CA 1.110 57.438 56.287 0.067 0.000 0.931 1870 K CB -0.436 32.134 32.500 0.117 0.000 0.714 1870 K HN 0.173 nan 8.250 nan 0.000 0.440 1871 A N 1.272 124.142 122.820 0.084 0.000 1.978 1871 A HA -0.192 4.137 4.320 0.015 0.000 0.220 1871 A C 2.061 179.667 177.584 0.037 0.000 1.170 1871 A CA 1.579 53.650 52.037 0.056 0.000 0.636 1871 A CB -0.340 18.707 19.000 0.078 0.000 0.810 1871 A HN 0.383 nan 8.150 nan 0.000 0.448 1872 E N -0.544 119.686 120.200 0.051 0.000 2.072 1872 E HA -0.073 4.286 4.350 0.015 0.000 0.191 1872 E C 2.332 178.981 176.600 0.082 0.000 0.985 1872 E CA 0.789 57.221 56.400 0.054 0.000 0.801 1872 E CB -0.207 29.519 29.700 0.044 0.000 0.750 1872 E HN 0.622 nan 8.360 nan 0.000 0.452 1873 A N 1.001 123.887 122.820 0.109 0.000 1.902 1873 A HA -0.170 4.159 4.320 0.015 0.000 0.217 1873 A C 2.103 179.882 177.584 0.326 0.000 1.181 1873 A CA 1.005 53.160 52.037 0.197 0.000 0.623 1873 A CB -0.517 18.590 19.000 0.179 0.000 0.818 1873 A HN 0.149 nan 8.150 nan 0.000 0.443 1874 I N -0.747 119.950 120.570 0.213 0.000 2.142 1874 I HA -0.329 3.850 4.170 0.015 0.000 0.240 1874 I C 2.835 179.009 176.117 0.095 0.000 1.078 1874 I CA 1.980 63.313 61.300 0.054 0.000 1.343 1874 I CB -0.375 37.458 38.000 -0.278 0.000 1.046 1874 I HN 0.534 nan 8.210 nan 0.000 0.405 1875 Q N 0.958 120.788 119.800 0.050 0.000 2.061 1875 Q HA -0.258 4.091 4.340 0.015 0.000 0.204 1875 Q C 2.014 178.077 176.000 0.105 0.000 0.984 1875 Q CA 1.977 57.815 55.803 0.058 0.000 0.846 1875 Q CB -0.022 28.738 28.738 0.036 0.000 0.902 1875 Q HN 0.426 nan 8.270 nan 0.000 0.421 1876 N N 0.478 119.248 118.700 0.116 0.000 2.104 1876 N HA -0.175 4.574 4.740 0.015 0.000 0.190 1876 N C 1.525 177.123 175.510 0.146 0.000 1.024 1876 N CA 1.445 54.565 53.050 0.116 0.000 0.853 1876 N CB -0.232 38.317 38.487 0.104 0.000 1.008 1876 N HN 0.141 nan 8.380 nan 0.000 0.424 1877 K N 1.427 121.957 120.400 0.216 0.000 2.148 1877 K HA -0.055 4.274 4.320 0.015 0.000 0.204 1877 K C 1.766 178.507 176.600 0.234 0.000 1.050 1877 K CA 0.792 57.209 56.287 0.216 0.000 0.942 1877 K CB -0.108 32.558 32.500 0.277 0.000 0.724 1877 K HN 0.120 nan 8.250 nan 0.000 0.446 1878 E N 0.874 121.247 120.200 0.288 0.000 2.031 1878 E HA -0.233 4.126 4.350 0.015 0.000 0.193 1878 E C 1.775 178.487 176.600 0.188 0.000 0.994 1878 E CA 1.569 58.162 56.400 0.321 0.000 0.800 1878 E CB -0.030 29.799 29.700 0.214 0.000 0.752 1878 E HN 0.452 nan 8.360 nan 0.000 0.447 1879 Q N 0.290 120.170 119.800 0.133 0.000 2.096 1879 Q HA -0.197 4.152 4.340 0.015 0.000 0.204 1879 Q C 2.253 178.301 176.000 0.080 0.000 0.982 1879 Q CA 1.807 57.667 55.803 0.095 0.000 0.850 1879 Q CB -0.179 28.605 28.738 0.075 0.000 0.901 1879 Q HN 0.400 nan 8.270 nan 0.000 0.422 1880 E N 0.192 120.435 120.200 0.073 0.000 2.051 1880 E HA -0.189 4.170 4.350 0.015 0.000 0.192 1880 E C 1.989 178.602 176.600 0.022 0.000 0.991 1880 E CA 1.245 57.670 56.400 0.041 0.000 0.799 1880 E CB 0.099 29.817 29.700 0.031 0.000 0.748 1880 E HN 0.127 nan 8.360 nan 0.000 0.449 1881 V N 0.675 120.589 119.914 -0.001 0.000 2.295 1881 V HA -0.259 3.870 4.120 0.015 0.000 0.246 1881 V C 2.382 178.501 176.094 0.041 0.000 1.049 1881 V CA 2.064 64.319 62.300 -0.075 0.000 1.024 1881 V CB -0.394 31.244 31.823 -0.308 0.000 0.648 1881 V HN 0.298 nan 8.190 nan 0.000 0.447 1882 S N 0.138 115.899 115.700 0.101 0.000 2.383 1882 S HA -0.132 4.347 4.470 0.015 0.000 0.227 1882 S C 2.190 176.903 174.600 0.188 0.000 1.026 1882 S CA 1.251 59.564 58.200 0.189 0.000 0.981 1882 S CB -0.467 62.832 63.200 0.165 0.000 0.818 1882 S HN 0.654 nan 8.310 nan 0.000 0.472 1883 A N 1.872 124.759 122.820 0.111 0.000 1.877 1883 A HA 0.078 4.407 4.320 0.015 0.000 0.216 1883 A C 2.396 180.026 177.584 0.077 0.000 1.186 1883 A CA 1.753 53.836 52.037 0.076 0.000 0.620 1883 A CB -1.192 17.837 19.000 0.049 0.000 0.822 1883 A HN 0.523 nan 8.150 nan 0.000 0.443 1884 A N -1.229 121.641 122.820 0.082 0.000 1.902 1884 A HA -0.187 4.142 4.320 0.015 0.000 0.217 1884 A C 2.134 179.813 177.584 0.159 0.000 1.181 1884 A CA 1.385 53.475 52.037 0.088 0.000 0.623 1884 A CB -0.968 18.064 19.000 0.053 0.000 0.818 1884 A HN 0.893 nan 8.150 nan 0.000 0.443 1885 W N 0.352 121.645 121.300 -0.012 0.000 2.358 1885 W HA -0.201 4.468 4.660 0.015 0.000 0.303 1885 W C 1.935 178.458 176.519 0.007 0.000 1.208 1885 W CA 1.888 59.225 57.345 -0.015 0.000 1.274 1885 W CB -0.217 29.219 29.460 -0.040 0.000 1.138 1885 W HN 0.342 nan 8.180 nan 0.000 0.515 1886 Q N 0.826 120.543 119.800 -0.138 0.000 2.030 1886 Q HA -0.174 4.175 4.340 0.015 0.000 0.204 1886 Q C 2.550 178.443 176.000 -0.178 0.000 0.986 1886 Q CA 2.282 57.949 55.803 -0.227 0.000 0.843 1886 Q CB -1.274 27.428 28.738 -0.059 0.000 0.904 1886 Q HN 0.392 nan 8.270 nan 0.000 0.420 1887 A N 0.967 123.762 122.820 -0.042 0.000 1.927 1887 A HA -0.207 4.123 4.320 0.015 0.000 0.220 1887 A C 2.197 179.806 177.584 0.041 0.000 1.185 1887 A CA 1.478 53.549 52.037 0.057 0.000 0.639 1887 A CB -0.868 18.210 19.000 0.130 0.000 0.820 1887 A HN 0.399 nan 8.150 nan 0.000 0.451 1888 L N -0.685 120.507 121.223 -0.052 0.000 2.056 1888 L HA -0.007 4.342 4.340 0.015 0.000 0.207 1888 L C 1.251 177.925 176.870 -0.326 0.000 1.078 1888 L CA 0.576 55.274 54.840 -0.237 0.000 0.749 1888 L CB -0.298 41.670 42.059 -0.152 0.000 0.901 1888 L HN 0.360 nan 8.230 nan 0.000 0.433 1889 L N 0.000 120.948 121.223 -0.458 0.000 2.949 1889 L HA 0.000 4.349 4.340 0.015 0.000 0.249 1889 L CA 0.000 54.592 54.840 -0.413 0.000 0.813 1889 L CB 0.000 41.732 42.059 -0.545 0.000 0.961 1889 L HN 0.000 nan 8.230 nan 0.000 0.502